Pub Date : 2024-06-01DOI: 10.1107/S241431462400539X
Jeongcheol Shin , Jin Kim , Jonghoon Choi , I. Brito (Editor)
The title complex exhibits a distorted octahedral geometry about the cobalt centre. The divalent cobalt ion is surrounded by three acetonitrile solvento ligands and one tridentate tacn ligand.
The title cobalt(II) complex, [Co(C2H3N)3(C9H21N3)](C24H20B)2 or [(tacn)Co(NCMe)3][BPh4]2, has been characterized by single-crystal X-ray diffraction. It incorporates the well-known macrocyclic tacn (1,4,7-trimethyl-1,4,7-triazacyclononane) ligand, which is coordinated facially to the metal center. The complex crystallizes in space group P21/c with Z = 4. The divalent cobalt ion exhibits a six-coordinate octahedral geometry by one tacn and three acetonitrile ligands. Two non-coordinating tetraphenylborate (BPh4−) anions are also present.
{"title":"Triacetonitrile(1,4,7-trimethyl-1,4,7-triazacyclononane)cobalt(II) bis(tetraphenylborate)","authors":"Jeongcheol Shin , Jin Kim , Jonghoon Choi , I. Brito (Editor)","doi":"10.1107/S241431462400539X","DOIUrl":"10.1107/S241431462400539X","url":null,"abstract":"<div><p>The title complex exhibits a distorted octahedral geometry about the cobalt centre. The divalent cobalt ion is surrounded by three acetonitrile solvento ligands and one tridentate tacn ligand.</p></div><div><p>The title cobalt(II) complex, [Co(C<sub>2</sub>H<sub>3</sub>N)<sub>3</sub>(C<sub>9</sub>H<sub>21</sub>N<sub>3</sub>)](C<sub>24</sub>H<sub>20</sub>B)<sub>2</sub> or [(tacn)Co(NCMe)<sub>3</sub>][BPh<sub>4</sub>]<sub>2</sub>, has been characterized by single-crystal X-ray diffraction. It incorporates the well-known macrocyclic tacn (1,4,7-trimethyl-1,4,7-triazacyclononane) ligand, which is coordinated facially to the metal center. The complex crystallizes in space group <em>P</em>2<sub>1</sub>/<em>c</em> with <em>Z</em> = 4. The divalent cobalt ion exhibits a six-coordinate octahedral geometry by one tacn and three acetonitrile ligands. Two non-coordinating tetraphenylborate (BPh<sub>4</sub><sup>−</sup>) anions are also present.<span><figure><span><img><ol><li><span>Download : <span>Download high-res image (372KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span></p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11223681/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141556420","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-01DOI: 10.1107/S2414314624003766
Ismael Angel-Nieto , Rosa Elena Arroyo-Carmona , Aarón Pérez-Benítez , Gerardo Aguirre-Hernández , Sylvain Bernès , I. Brito (Editor)
The crystal structure of the title complex is stabilized by intermolecular O—H⋯Cl hydrogen bonds, forming (18) ring motifs.
The use of acetic acid (HOAc) in a reaction between CuCl2·2H2O and secnidazole, an active pharmaceutical ingredient useful in the treatment against a variety of anaerobic Gram-positive and Gram-negative bacteria, affords the title complex, [CuCl2(C7H11N3O3)2]. This compound was previously synthesized using ethanol as solvent, although its crystal structure was not reported [Betanzos-Lara et al. (2013#). Inorg. Chim. Acta, 397, 94–100]. In the molecular complex, the Cu2+ cation is situated at an inversion centre and displays a square-planar coordination environment. There is a hydrogen-bonded framework based on intermolecular O—H⋯Cl interactions, characterized by H⋯Cl separations of 2.28 (4) Å and O—H⋯Cl angles of 175 (3)°. The resulting supramolecular network is based on R 2 2 (18) ring motifs, forming chains in the [010] direction.
{"title":"trans-Dichloridobis(secnidazole-κN 3)copper(II)","authors":"Ismael Angel-Nieto , Rosa Elena Arroyo-Carmona , Aarón Pérez-Benítez , Gerardo Aguirre-Hernández , Sylvain Bernès , I. Brito (Editor)","doi":"10.1107/S2414314624003766","DOIUrl":"10.1107/S2414314624003766","url":null,"abstract":"<div><p>The crystal structure of the title complex is stabilized by intermolecular O—H⋯Cl hydrogen bonds, forming <figure><img></figure> (18) ring motifs.</p></div><div><p>The use of acetic acid (HOAc) in a reaction between CuCl<sub>2</sub>·2H<sub>2</sub>O and secnidazole, an active pharmaceutical ingredient useful in the treatment against a variety of anaerobic Gram-positive and Gram-negative bacteria, affords the title complex, [CuCl<sub>2</sub>(C<sub>7</sub>H<sub>11</sub>N<sub>3</sub>O<sub>3</sub>)<sub>2</sub>]. This compound was previously synthesized using ethanol as solvent, although its crystal structure was not reported [Betanzos-Lara <em>et al.</em> (2013<span>#</span>). <em>Inorg. Chim. Acta</em>, <strong>397</strong>, 94–100]. In the molecular complex, the Cu<sup>2+</sup> cation is situated at an inversion centre and displays a square-planar coordination environment. There is a hydrogen-bonded framework based on intermolecular O—H⋯Cl interactions, characterized by H⋯Cl separations of 2.28 (4) Å and O—H⋯Cl angles of 175 (3)°. The resulting supramolecular network is based on <em>R 2\u00002\u0000</em>(18) ring motifs, forming chains in the [010] direction. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (294KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span> </p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141015877","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-01DOI: 10.1107/S2414314624004310
Yoshimi Ichimaru , Koichi Kato , Wanchun Jin , Masaaki Kurihara , Hiromasa Kurosaki , M. Bolte (Editor)
In the structure of the title complex, the zinc(II) ion forms coordination bonds with the four nitrogen atoms of cyclam as well as with the nitrogen atom of a deprotonated 5-fluorouracil ion. Cyclam adopts a trans-I type conformation within this structure. The coordination structure of the zinc(II) ion is a square pyramid with a distorted base plane formed by the four nitrogen atoms of the cyclam.
In the structure of the title complex, [Zn(C4H2FN2O2)(C10H24N4)]ClO4, the zinc(II) ion forms coordination bonds with the four nitrogen atoms of cyclam (1,4,8,11-tetraazacyclotetradecane or [14]aneN4) as well as with the nitrogen atom of a deprotonated 5-fluorouracil ion (FU−). Cyclam adopts a trans-I type conformation within this structure. The coordination structure of the zinc(II) ion is a square pyramid with a distorted base plane formed by the four nitrogen atoms of the cyclam. FU− engages in intermolecular hydrogen bonding with neighboring FU− molecules and with the cyclam molecule.
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在标题复合物[Zn(C4H2FN2O2)(C10H24N4)]ClO4的结构中，锌（II）离子与环胺（1,4,8,11-四氮杂环十四烷或 [14]aneN4）的四个氮原子以及去质子化的 5-氟尿嘧啶离子（FU-）的氮原子形成配位键。在这种结构中，Cyclam 采用反式 I 型构象。锌（II）离子的配位结构是一个正方形金字塔，环胺的四个氮原子形成了一个扭曲的基面。FU- 与邻近的 FU- 分子和环胺分子发生分子间氢键作用。
{"title":"(5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-ido-κN 1)(1,4,8,11-tetraazacyclotetradecane-κ4 N)zinc(II) perchlorate","authors":"Yoshimi Ichimaru , Koichi Kato , Wanchun Jin , Masaaki Kurihara , Hiromasa Kurosaki , M. Bolte (Editor)","doi":"10.1107/S2414314624004310","DOIUrl":"10.1107/S2414314624004310","url":null,"abstract":"<div><p>In the structure of the title complex, the zinc(II) ion forms coordination bonds with the four nitrogen atoms of cyclam as well as with the nitrogen atom of a deprotonated 5-fluorouracil ion. Cyclam adopts a <em>trans</em>-I type conformation within this structure. The coordination structure of the zinc(II) ion is a square pyramid with a distorted base plane formed by the four nitrogen atoms of the cyclam.</p></div><div><p>In the structure of the title complex, [Zn(C<sub>4</sub>H<sub>2</sub>FN<sub>2</sub>O<sub>2</sub>)(C<sub>10</sub>H<sub>24</sub>N<sub>4</sub>)]ClO<sub>4</sub>, the zinc(II) ion forms coordination bonds with the four nitrogen atoms of cyclam (1,4,8,11-tetraazacyclotetradecane or [14]aneN4) as well as with the nitrogen atom of a deprotonated 5-fluorouracil ion (FU<sup>−</sup>). Cyclam adopts a <em>trans</em>-I type conformation within this structure. The coordination structure of the zinc(II) ion is a square pyramid with a distorted base plane formed by the four nitrogen atoms of the cyclam. FU<sup>−</sup> engages in intermolecular hydrogen bonding with neighboring FU<sup>−</sup> molecules and with the cyclam molecule. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (318KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span> </p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141117756","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-01DOI: 10.1107/S2414314624004759
Dhandayutham Saravanan , C. Ponraj , Themmila Khamrang , Madhukar Hemamalini , G. Jerald Maria Antony , W. T. A. Harrison (Editor)
The N—H group of the title compound does not form a hydrogen bond due to steric hindrance.
In the title compound, C26H18BrN, the central benzene ring makes dihedral angles with its adjacent anthracene ring system and pendant benzene ring of 87.49 (13) and 62.01 (17)°, respectively. The N—H moiety is sterically blocked from forming a hydrogen bond, but weak C—H⋯π interactions occur in the extended structure.
{"title":"2-(10-Bromoanthracen-9-yl)-N-phenylaniline","authors":"Dhandayutham Saravanan , C. Ponraj , Themmila Khamrang , Madhukar Hemamalini , G. Jerald Maria Antony , W. T. A. Harrison (Editor)","doi":"10.1107/S2414314624004759","DOIUrl":"10.1107/S2414314624004759","url":null,"abstract":"<div><p>The N—H group of the title compound does not form a hydrogen bond due to steric hindrance.</p></div><div><p>In the title compound, C<sub>26</sub>H<sub>18</sub>BrN, the central benzene ring makes dihedral angles with its adjacent anthracene ring system and pendant benzene ring of 87.49 (13) and 62.01 (17)°, respectively. The N—H moiety is sterically blocked from forming a hydrogen bond, but weak C—H⋯π interactions occur in the extended structure. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (239KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span> </p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11151289/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141285713","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-01DOI: 10.1107/S2414314624004802
James K. Waters , Steven P. Kelley , Valeri V. Mossine , Thomas P. Mawhinney , S. Parkin (Editor)
The molecule is a zwitterion, with a protonated α-amino group and a deprotonated α-carboxyl group. Within the crystal, the molecules are linked by a system of hydrogen bonds formed by both the protonated and deprotonated carboxylic groups, and the protonated ammonium group.
The title compound {systematic name: (2S)-2-azaniumyl-3-[(2-carboxyethane)sulfonyl]propanoate}, C6H11NO6S, forms enantiopure crystals in the monoclinic space group P21 and exists as a zwitterion, with a protonated α-amino group and a deprotonated α-carboxyl group. Both the carboxyl groups and the amino group are involved in an extensive multicentered intermolecular hydrogen-bonding scheme. In the crystal, the diperiodic network of hydrogen bonds propagates parallel to (101) and involves interconnected heterodromic R43(10) rings. Electrostatic forces are major contributors to the structure energy, which was estimated by DFT calculations as Etotal = −333.5 kJ mol−1.
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标题化合物{系统名称：(2S)-2-氮鎓-3-[(2-羰氧-乙烷)-磺酰基]丙酸酯}，C6H11NO6S，在单斜空间群 P21 中形成对映纯晶体，以齐聚物形式存在，具有质子化的 α-氨基和去质子化的 α-羧基。羧基和氨基都参与了广泛的多中心分子间氢键计划。在晶体中，氢键的双周期网络平行于 (101) 延伸，并涉及相互连接的杂色 R 4 3(10) 环。静电力是结构能的主要贡献者，根据 DFT 计算估计，结构能为 E total = -333.5 kJ mol-1。
{"title":"(S)-2-Carboxyethyl l-cysteinyl sulfone","authors":"James K. Waters , Steven P. Kelley , Valeri V. Mossine , Thomas P. Mawhinney , S. Parkin (Editor)","doi":"10.1107/S2414314624004802","DOIUrl":"10.1107/S2414314624004802","url":null,"abstract":"<div><p>The molecule is a zwitterion, with a protonated α-amino group and a deprotonated α-carboxyl group. Within the crystal, the molecules are linked by a system of hydrogen bonds formed by both the protonated and deprotonated carboxylic groups, and the protonated ammonium group.</p></div><div><p>The title compound {systematic name: (2<em>S</em>)-2-azaniumyl-3-[(2-carboxyethane)sulfonyl]propanoate}, C<sub>6</sub>H<sub>11</sub>NO<sub>6</sub>S, forms enantiopure crystals in the monoclinic space group <em>P</em>2<sub>1</sub> and exists as a zwitterion, with a protonated α-amino group and a deprotonated α-carboxyl group. Both the carboxyl groups and the amino group are involved in an extensive multicentered intermolecular hydrogen-bonding scheme. In the crystal, the diperiodic network of hydrogen bonds propagates parallel to (101) and involves interconnected heterodromic <em>R</em> <sub>4</sub> <sup>3</sup>(10) rings. Electrostatic forces are major contributors to the structure energy, which was estimated by DFT calculations as <em>E</em> <sub>total</sub> = −333.5 kJ mol<sup>−1</sup>. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (174KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span> </p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11151290/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141285712","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-01DOI: 10.1107/S2414314624004826
Felix Eder , Matthias Weil , M. Bolte (Editor)
Na2(Fe2/3Te4/3)O6 was obtained under hydrothermal conditions and adopts the ilmenite (FeTiO3) structure type.
Na2(Fe2/3Te4/3)O6 (Z = 3) or Na3(FeTe2)O9 (Z = 2), trisodium iron(III) ditellurium(VI) nonaoxide, adopts the ilmenite (FeTiO3, Z = 6) structure type with the Ti site (site symmetry 3.) replaced by Na and the Fe site (site symmetry 3.) replaced by a mixed-occupied (FeIII,TeVI) site in a Fe:Te ratio of 1:2. Whereas the [(Fe,Te)O6] octahedron is only slightly distorted, the [NaO6] octahedron shows much stronger distortions, as revealed by a larger spread of the bond lengths and some distortion parameters.
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Na2(Fe2/3Te4/3)O6（Z = 3）或 Na3(FeTe2)O9（Z = 2），三钠铁(III)二碲(VI)壬氧化物，采用钛铁矿（FeTiO3，Z = 6）结构类型，Ti 位点（位点对称性 3.）被 Na 取代，而 Fe 位点（位点对称性 3.虽然[(Fe,Te)O6]八面体只发生了轻微的畸变，但[NaO6]八面体却表现出了更强烈的畸变，这一点从键长和一些畸变参数的较大分布中可以看出。
{"title":"Ilmenite-type Na2(Fe2/3Te4/3)O6","authors":"Felix Eder , Matthias Weil , M. Bolte (Editor)","doi":"10.1107/S2414314624004826","DOIUrl":"10.1107/S2414314624004826","url":null,"abstract":"<div><p>Na<sub>2</sub>(Fe<sub>2/3</sub>Te<sub>4/3</sub>)O<sub>6</sub> was obtained under hydrothermal conditions and adopts the ilmenite (FeTiO<sub>3</sub>) structure type.</p></div><div><p>Na<sub>2</sub>(Fe<sub>2/3</sub>Te<sub>4/3</sub>)O<sub>6</sub> (<em>Z</em> = 3) or Na<sub>3</sub>(FeTe<sub>2</sub>)O<sub>9</sub> (<em>Z</em> = 2), trisodium iron(III) ditellurium(VI) nonaoxide, adopts the ilmenite (FeTiO<sub>3</sub>, <em>Z</em> = 6) structure type with the Ti site (site symmetry 3.) replaced by Na and the Fe site (site symmetry 3.) replaced by a mixed-occupied (Fe<sup>III</sup>,Te<sup>VI</sup>) site in a Fe:Te ratio of 1:2. Whereas the [(Fe,Te)O<sub>6</sub>] octahedron is only slightly distorted, the [NaO<sub>6</sub>] octahedron shows much stronger distortions, as revealed by a larger spread of the bond lengths and some distortion parameters. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (176KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span> </p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11151285/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141285715","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-01DOI: 10.1107/S2414314624004942
Valentin Bationo , Eric Ziki , Charles Bavouma Sombié , Rasmané Semdé , Abdoulaye Djandé , W. T. A. Harrison (Editor)
In the crystal of the title compound, the molecules are connected through C—H⋯O hydrogen bonds, generating [100] chains, which are crosslinked by weak π–π stacking interactions.
In the crystal of the title compound, C15H16O4, the molecules are connected through C—H⋯O hydrogen bonds, generating [100] chains, which are crosslinked by weak π–π stacking interactions.
{"title":"2-Oxo-2H-chromen-4-yl 3,3-dimethylbutanoate","authors":"Valentin Bationo , Eric Ziki , Charles Bavouma Sombié , Rasmané Semdé , Abdoulaye Djandé , W. T. A. Harrison (Editor)","doi":"10.1107/S2414314624004942","DOIUrl":"10.1107/S2414314624004942","url":null,"abstract":"<div><p>In the crystal of the title compound, the molecules are connected through C—H⋯O hydrogen bonds, generating [100] chains, which are crosslinked by weak π–π stacking interactions.</p></div><div><p>In the crystal of the title compound, C<sub>15</sub>H<sub>16</sub>O<sub>4</sub>, the molecules are connected through C—H⋯O hydrogen bonds, generating [100] chains, which are crosslinked by weak π–π stacking interactions. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (246KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span> </p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11151293/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141285714","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-01DOI: 10.1107/S2414314624004796
Christian Lämmer , Kurt Merzweiler , M. Weil (Editor)
The molecular structure of Sn(NHMes)4 is defined by a central tin(IV) atom that is coordinated by four NHMes groups in a distorted tetrahedral arrangement.
Transamination of Sn(NMe2)4 with H2NMes (Mes is 2,4,6-trimethylphenyl, C9H11) led to the formation of the title compound, [Sn(C9H12N)4] or Sn(NHMes)4, which crystallizes in the tetragonal space group P 21c, with four formula units per unit cell. The molecular structure consists of a central tin(IV) atom, which is surrounded by four NHMes groups. Sn(NHMes)4 possesses crystallographically imposed symmetry. The SnN4 coordination polyhedron is best described as a compressed bisphenoid.
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Sn(NMe2)4 与 H2NMes（Mes 为 2,4,6-三甲基苯基，C9H11）发生转化反应，生成了标题化合物 [Sn(C9H12N)4] 或 Sn(NHMes)4，该化合物在 P 21 c 四元空间群中结晶，每个单胞有四个式单元。其分子结构由一个中心锡（IV）原子和四个 NHMes 基团组成。Sn(NHMes)4 具有晶体学上的对称性。SnN4 配位多面体最适合描述为一个压缩的双正二面体。
{"title":"Tetrakis(2,4,6-trimethylanilido)tin(IV)","authors":"Christian Lämmer , Kurt Merzweiler , M. Weil (Editor)","doi":"10.1107/S2414314624004796","DOIUrl":"10.1107/S2414314624004796","url":null,"abstract":"<div><p>The molecular structure of Sn(NHMes)<sub>4</sub> is defined by a central tin(IV) atom that is coordinated by four NHMes groups in a distorted tetrahedral arrangement.</p></div><div><p>Transamination of Sn(NMe<sub>2</sub>)<sub>4</sub> with H<sub>2</sub>NMes (Mes is 2,4,6-trimethylphenyl, C<sub>9</sub>H<sub>11</sub>) led to the formation of the title compound, [Sn(C<sub>9</sub>H<sub>12</sub>N)<sub>4</sub>] or Sn(NHMes)<sub>4</sub>, which crystallizes in the tetragonal space group <em>P</em> <figure><img></figure> 2<sub>1</sub> <em>c</em>, with four formula units per unit cell. The molecular structure consists of a central tin(IV) atom, which is surrounded by four NHMes groups. Sn(NHMes)<sub>4</sub> possesses crystallographically imposed <figure><img></figure> symmetry. The SnN<sub>4</sub> coordination polyhedron is best described as a compressed bisphenoid. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (321KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span> </p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11151286/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141285717","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-01DOI: 10.1107/S2414314624003948
Marten J. Kimble , Shea D. Myers , Jason B Benedict , W. T. A. Harrison (Editor)
The title compound forms a sheet structure of dimers exhibiting intra- and intermolecular hydrogen bonds.
The structure of the title compound, C8H7IO3, at 90 K has monoclinic (P21/c) symmetry. The extended structure is layered and displays intermolecular and intramolecular hydrogen bonding arising from the same OH group.
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标题化合物 C8H7IO3 在 90 K 时的结构具有单斜（P21/c）对称性。扩展结构呈层状，显示出分子间和分子内氢键来自同一个羟基。
{"title":"Methyl 2-hydroxy-4-iodobenzoate","authors":"Marten J. Kimble , Shea D. Myers , Jason B Benedict , W. T. A. Harrison (Editor)","doi":"10.1107/S2414314624003948","DOIUrl":"10.1107/S2414314624003948","url":null,"abstract":"<div><p>The title compound forms a sheet structure of dimers exhibiting intra- and intermolecular hydrogen bonds.</p></div><div><p>The structure of the title compound, C<sub>8</sub>H<sub>7</sub>IO<sub>3</sub>, at 90 K has monoclinic (<em>P</em>2<sub>1</sub>/<em>c</em>) symmetry. The extended structure is layered and displays intermolecular and intramolecular hydrogen bonding arising from the same OH group. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (166KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span> </p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140961965","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-01DOI: 10.1107/S2414314624004632
Papa Aly Gueye , Lamine Yaffa , Dame Seye , Daouda Ndoye , Bocar Traoré , Mamadou Sidibé , Cheikh Abdoul Khadir Diop , Sergiu Shova , M. Weil (Editor)
(C8H20N)8[Mo10O34] comprises a centrosymmetric decamolybdate polyanion linked through N—H⋯O hydrogen bonds to dibutylammonium counter-cations.
In the title salt, (C8H20N)8[Mo10O34], the [Mo10O34]8− polyanion is located about an inversion centre and can be considered as a β-type octamolybdate anion to which two additional MoO4 tetrahedra are linked via common corners. The [Mo10O34]8− polyanions are packed in rows extending parallel to [001] and are connected to the dibutylammonium counter-cations through N—H⋯O hydrogen-bonding interactions.
{"title":"Octakis(dibutylammonium) decamolybdate(VI)","authors":"Papa Aly Gueye , Lamine Yaffa , Dame Seye , Daouda Ndoye , Bocar Traoré , Mamadou Sidibé , Cheikh Abdoul Khadir Diop , Sergiu Shova , M. Weil (Editor)","doi":"10.1107/S2414314624004632","DOIUrl":"10.1107/S2414314624004632","url":null,"abstract":"<div><p>(C<sub>8</sub>H<sub>20</sub>N)<sub>8</sub>[Mo<sub>10</sub>O<sub>34</sub>] comprises a centrosymmetric decamolybdate polyanion linked through N—H⋯O hydrogen bonds to dibutylammonium counter-cations.</p></div><div><p>In the title salt, (C<sub>8</sub>H<sub>20</sub>N)<sub>8</sub>[Mo<sub>10</sub>O<sub>34</sub>], the [Mo<sub>10</sub>O<sub>34</sub>]<sup>8−</sup> polyanion is located about an inversion centre and can be considered as a <em>β</em>-type octamolybdate anion to which two additional MoO<sub>4</sub> tetrahedra are linked <em>via</em> common corners. The [Mo<sub>10</sub>O<sub>34</sub>]<sup>8−</sup> polyanions are packed in rows extending parallel to [001] and are connected to the dibutylammonium counter-cations through N—H⋯O hydrogen-bonding interactions. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (333KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span> </p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11151287/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141285716","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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