Pub Date : 2022-07-29eCollection Date: 2022-07-01DOI: 10.1107/S2414314622006216
Mohcine Missioui, Walid Guerrab, Abdulsalam Alsubari, Joel T Mague, Youssef Ramli
The asymmetric unit of the title compound, C9H10N4O, comprises three independent mol-ecules, two pairs of which differ significantly in the rotational orientation of the azido group and one pair having very similar conformations; the N-N-C-C torsion angles are -173.9 (2), -102.7 (2) and -173.6 (2)°. In the crystal, each independent mol-ecule forms N-H⋯O hydrogen bonds with its glide-plane-related counterparts, forming zigzag chains extending along the c-axis direction.
{"title":"2-Azido-<i>N</i>-(4-methyl-phen-yl)acetamide.","authors":"Mohcine Missioui, Walid Guerrab, Abdulsalam Alsubari, Joel T Mague, Youssef Ramli","doi":"10.1107/S2414314622006216","DOIUrl":"10.1107/S2414314622006216","url":null,"abstract":"<p><p>The asymmetric unit of the title compound, C<sub>9</sub>H<sub>10</sub>N<sub>4</sub>O, comprises three independent mol-ecules, two pairs of which differ significantly in the rotational orientation of the azido group and one pair having very similar conformations; the N-N-C-C torsion angles are -173.9 (2), -102.7 (2) and -173.6 (2)°. In the crystal, each independent mol-ecule forms N-H⋯O hydrogen bonds with its glide-plane-related counterparts, forming zigzag chains extending along the <i>c</i>-axis direction.</p>","PeriodicalId":14692,"journal":{"name":"IUCrData","volume":"7 Pt 7","pages":"x220621"},"PeriodicalIF":0.0,"publicationDate":"2022-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9635410/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"40669610","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 : 2022-07-19eCollection Date: 2022-07-01DOI: 10.1107/S2414314622007295
Silvana Moris, Antonio Galdámez
Compounds of the solid solution series SnTe1-x Se x , derived from pristine SnSe and SnTe, are considered as thermoelectric lead-free materials. The crystal structure re-refinement of NaCl-type SnTe0.73 (2)Se0.27 (2) is based on single-crystal X-ray diffraction data and results in higher precision of the bond length [Sn-(Te,Se) = 3.0798 (3) Å] compared to a previous report on basis of powder X-ray data [Krebs & Langner (1964 ▸). Z. Anorg. Allg. Chem.334, 37-49].
固溶体系列 SnTe1-x Se x 化合物,源自原始 SnSe 和 SnTe,被认为是热电无铅材料。根据单晶 X 射线衍射数据,对 NaCl 型 SnTe0.73 (2)Se0.27 (2) 的晶体结构进行了再细化,与之前基于粉末 X 射线数据的报告[Krebs & Langner (1964 ▸)。 Z. Anorg. Allg. Chem. 334, 37-49]相比,其键长[Sn-(Te,Se)=3.0798 (3) Å]的精度更高。
{"title":"Rerefinement of the crystal structure of SnTe<sub>0.73(2)</sub>Se<sub>0.27(2)</sub> from single-crystal X-ray diffraction data.","authors":"Silvana Moris, Antonio Galdámez","doi":"10.1107/S2414314622007295","DOIUrl":"10.1107/S2414314622007295","url":null,"abstract":"<p><p>Compounds of the solid solution series SnTe<sub>1-<i>x</i></sub> Se <sub><i>x</i></sub> , derived from pristine SnSe and SnTe, are considered as thermoelectric lead-free materials. The crystal structure re-refinement of NaCl-type SnTe<sub>0.73 (2)</sub>Se<sub>0.27 (2)</sub> is based on single-crystal X-ray diffraction data and results in higher precision of the bond length [Sn-(Te,Se) = 3.0798 (3) Å] compared to a previous report on basis of powder X-ray data [Krebs & Langner (1964 ▸). <i>Z. Anorg. Allg. Chem.</i> <b>334</b>, 37-49].</p>","PeriodicalId":14692,"journal":{"name":"IUCrData","volume":"7 Pt 7","pages":"x220729"},"PeriodicalIF":0.0,"publicationDate":"2022-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9635412/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"40471238","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 : 2022-07-14eCollection Date: 2022-07-01DOI: 10.1107/S2414314622006939
Nadeem Abad, Mohcine Missioui, Abdulsalam Alsubari, Joel T Mague, El Mokhtar Essassi, Youssef Ramli
The quinoxaline portion of the title mol-ecule, C21H19N5O3, is not quite planar as indicated by a dihedral angle of 3.38 (7)° between the constituent rings. The mol-ecule is 'U-shaped', which is consolidated by an intra-molecular anti-parallel carbonyl electrostatic inter-action with C··O distances of 2.8905 (16) and 3.0221 (15) Å, in the crystal forms corrugated layers through C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π(ring) and π-stacking inter-actions.
{"title":"Crystal structure of ethyl 2-{4-[(2-oxo-3-phenyl-1,2-di-hydro-quinoxalin-1-yl)meth-yl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate.","authors":"Nadeem Abad, Mohcine Missioui, Abdulsalam Alsubari, Joel T Mague, El Mokhtar Essassi, Youssef Ramli","doi":"10.1107/S2414314622006939","DOIUrl":"10.1107/S2414314622006939","url":null,"abstract":"<p><p>The quinoxaline portion of the title mol-ecule, C<sub>21</sub>H<sub>19</sub>N<sub>5</sub>O<sub>3</sub>, is not quite planar as indicated by a dihedral angle of 3.38 (7)° between the constituent rings. The mol-ecule is 'U-shaped', which is consolidated by an intra-molecular anti-parallel carbonyl electrostatic inter-action with C··O distances of 2.8905 (16) and 3.0221 (15) Å, in the crystal forms corrugated layers through C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π(ring) and π-stacking inter-actions.</p>","PeriodicalId":14692,"journal":{"name":"IUCrData","volume":"7 Pt 7","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9635411/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"40669609","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 : 2022-07-12eCollection Date: 2022-07-01DOI: 10.1107/S2414314622006940
Yawei Zhou, Changzeng Fan, Bin Wen, Lifeng Zhang
A djurleite crystal was discovered from a natural sample originally labelled as chalcocite. The djurleite crystal under investigation has a refined composition of Cu61.39S32, thus revealing a Cu deficiency compared to the originally reported Cu62S32 phase [Evans (1979). Z. Kristallogr.150, 299-320], where all atomic sites are reported to be fully occupied. In addition, the current refinement revealed a splitting of eight of the Cu sites into pairs.
从一个最初被标记为白云母的天然样本中发现了一个榴辉石晶体。与最初报道的 Cu62S32 相相比[Evans (1979). Z. Kristallogr. 150, 299-320],正在研究的榴辉石晶体的细化成分为 Cu61.39S32,从而显示了铜的缺乏,据报道,Cu62S32 相中的所有原子位点都被完全占据。此外,目前的细化结果显示有八个铜位点分裂成对。
{"title":"Natural djurleite with refined composition Cu<sub>61.39</sub>S<sub>32</sub> revealing disorder of some Cu sites.","authors":"Yawei Zhou, Changzeng Fan, Bin Wen, Lifeng Zhang","doi":"10.1107/S2414314622006940","DOIUrl":"10.1107/S2414314622006940","url":null,"abstract":"<p><p>A djurleite crystal was discovered from a natural sample originally labelled as chalcocite. The djurleite crystal under investigation has a refined composition of Cu<sub>61.39</sub>S<sub>32</sub>, thus revealing a Cu deficiency compared to the originally reported Cu<sub>62</sub>S<sub>32</sub> phase [Evans (1979). <i>Z. Kristallogr.</i> <b>150</b>, 299-320], where all atomic sites are reported to be fully occupied. In addition, the current refinement revealed a splitting of eight of the Cu sites into pairs.</p>","PeriodicalId":14692,"journal":{"name":"IUCrData","volume":"7 Pt 7","pages":"x220694"},"PeriodicalIF":0.0,"publicationDate":"2022-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9635409/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"40471236","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 : 2022-07-08eCollection Date: 2022-07-01DOI: 10.1107/S241431462200685X
Joshua Rushlow, Andrei V Astashkin, Daniel R Albert, Edward Rajaseelan
The title compound, [Ir(C8H12)(C6H11N3)(C18H33P)]BF4·CH2Cl2, a triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetra-fluorido-borate counter-anion, crystallizes with one di-chloro-methane solvent mol-ecule per formula unit. The IrI atom of the cationic complex has a distorted square-planar coordination environment, defined by a bidentate cyclo-octa-1,5-diene (COD) ligand, an N-heterocyclic carbene, and a tri-cyclo-hexyl-phosphane ligand. The complex crystallizes in a C-centered monoclinic unit cell and has an unusually high number of eight formula units.
标题化合物[Ir(C8H12)(C6H11N3)(C18H33P)]BF4-CH2Cl2 是一种基于三唑的 N-杂环碳化铱(I)阳离子络合物,带有一个四氟硼酸对位离子,每个式单元结晶出一个二氯甲烷溶剂分子。阳离子络合物中的 IrI 原子具有扭曲的方形平面配位环境,该环境由双齿环辛烷-1,5-二烯(COD)配体、N-杂环碳烯和三环己基膦烷配体确定。该复合物结晶于一个以 C 为中心的单斜晶胞中,并具有非常多的 8 个配方单元。
{"title":"[(1,2,5,6-η)-Cyclo-octa-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-yl-idene)(tri-cyclo-hexyl-phosphane-κ<i>P</i>)iridium(I) tetra-fluorido-borate di-chloro-methane monosolvate.","authors":"Joshua Rushlow, Andrei V Astashkin, Daniel R Albert, Edward Rajaseelan","doi":"10.1107/S241431462200685X","DOIUrl":"10.1107/S241431462200685X","url":null,"abstract":"<p><p>The title compound, [Ir(C<sub>8</sub>H<sub>12</sub>)(C<sub>6</sub>H<sub>11</sub>N<sub>3</sub>)(C<sub>18</sub>H<sub>33</sub>P)]BF<sub>4</sub>·CH<sub>2</sub>Cl<sub>2</sub>, a triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetra-fluorido-borate counter-anion, crystallizes with one di-chloro-methane solvent mol-ecule per formula unit. The Ir<sup>I</sup> atom of the cationic complex has a distorted square-planar coordination environment, defined by a bidentate cyclo-octa-1,5-diene (COD) ligand, an N-heterocyclic carbene, and a tri-cyclo-hexyl-phosphane ligand. The complex crystallizes in a <i>C</i>-centered monoclinic unit cell and has an unusually high number of eight formula units.</p>","PeriodicalId":14692,"journal":{"name":"IUCrData","volume":"7 Pt 7","pages":"x220685"},"PeriodicalIF":0.0,"publicationDate":"2022-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9635413/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"40471234","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 : 2022-06-24eCollection Date: 2022-06-01DOI: 10.1107/S2414314622006228
Donna Franklin, Aundrea Lee, Frank R Fronczek, Thomas Junk
[1,4]Ditellurino[2,3-b:5,6-b']di-pyrazine represents the first reported [1,4]chalcogena[2,3-b:5,6-b']di-pyrazine containing a heavy chalcogens The asymmetric unit consists of three mol-ecules. In contrast to its sulfur analog, which is planar [Lynch et al. (1994 ▸) Cryst. Struct. Commun.50,1470-1472], C8H4N4Te2 is folded along the Te⋯Te axis to accommodate the larger chalcogenide atoms. The dihedral angle between the two Te2C2 rings of the central ring is 57.9° (mean of three). C-Te bond lengths range from 2.1105 (16) Å to 2.1381 (17) Å, in good agreement with those predicted by their covalent radii. All Te atoms are involved in inter-molecular Te⋯N contacts, with distances in the range 2.894 (2) to 2.963 (2) Å. These result in a spiral supra-molecular assembly, forming helical columns.
[1,4]Ditellurino[2,3-b:5,6-b']di-pyrazine 是首次报道的含有重金 属的 [1,4]chalcogena[2,3-b:5,6-b']di-pyrazine 不对称单元由三个分子组成。C8H4N4Te2 的硫类似物是平面的[Lynch 等人 (1994 ▸) Cryst. Struct.中心环的两个 Te2C2 环之间的二面角为 57.9°(三个的平均值)。C-Te 键长度从 2.1105 (16) Å 到 2.1381 (17) Å 不等,与它们的共价半径预测值十分吻合。所有 Te 原子都参与了分子间 Te⋯N 接触,其距离范围为 2.894 (2) Å 至 2.963 (2) Å。这些接触形成了螺旋状的超分子组装,形成螺旋柱。
{"title":"[1,4]Ditellurino[2,3-<i>b</i>:5,6-<i>b</i>']di-pyrazine.","authors":"Donna Franklin, Aundrea Lee, Frank R Fronczek, Thomas Junk","doi":"10.1107/S2414314622006228","DOIUrl":"10.1107/S2414314622006228","url":null,"abstract":"<p><p>[1,4]Ditellurino[2,3-<i>b</i>:5,6-<i>b</i>']di-pyrazine represents the first reported [1,4]chalcogena[2,3-<i>b</i>:5,6-<i>b</i>']di-pyrazine containing a heavy chalcogens The asymmetric unit consists of three mol-ecules. In contrast to its sulfur analog, which is planar [Lynch <i>et al.</i> (1994 ▸) <i>Cryst. Struct. Commun.</i> <b>50</b>,1470-1472], C<sub>8</sub>H<sub>4</sub>N<sub>4</sub>Te<sub>2</sub> is folded along the Te⋯Te axis to accommodate the larger chalcogenide atoms. The dihedral angle between the two Te<sub>2</sub>C<sub>2</sub> rings of the central ring is 57.9° (mean of three). C-Te bond lengths range from 2.1105 (16) Å to 2.1381 (17) Å, in good agreement with those predicted by their covalent radii. All Te atoms are involved in inter-molecular Te⋯N contacts, with distances in the range 2.894 (2) to 2.963 (2) Å. These result in a spiral supra-molecular assembly, forming helical columns.</p>","PeriodicalId":14692,"journal":{"name":"IUCrData","volume":"7 Pt 6","pages":"x220622"},"PeriodicalIF":0.0,"publicationDate":"2022-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462040/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"40669518","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 : 2022-06-24eCollection Date: 2022-06-01DOI: 10.1107/S2414314622006277
Aarón Pérez-Benítez, Jorge Luis Ariza-Ramírez, Monserrat Fortis-Valera, Rosa Elena Arroyo-Carmona, María Isabel Martínez de la Luz, Diego Ramírez-Contreras, Sylvain Bernès
The title compound, (C4H12N5)4(C2H7N4O)2[V10O28]·4H2O, is a by-product obtained by reacting ammonium metavanadate(V), metformin hydro-chloride and acetic acid in the presence of sodium hypochlorite, at pH = 5. The crystal structure comprises a deca-vanadate(V) anion (V10O28)6- lying on an inversion centre in space group P , while cations and solvent water mol-ecules are placed in general positions, surrounding the anion, and forming numerous N-H⋯O and O-H⋯O hydrogen bonds. Metforminium (C4H12N5)+ and guanylurea (C2H7N4O)+ cations display the expected shape. Inter-estingly, in physiology the latter cation is known to be the main metabolite of the former one. The reported structure thus supports the role of sodium hypochlorite as an oxidizing reagent being able to degrade metformin hydro-chloride to form guanylurea.
{"title":"Bis{[amino-(iminium-yl)meth-yl]urea} tetra-kis-{2-[(di-methyl-amino)(iminium-yl)meth-yl]guanidine} di-μ<sub>6</sub>-oxido-tetra-μ<sub>3</sub>-oxido-tetra-deca-μ<sub>2</sub>-oxido-octa-oxidodeca-vanadium(V) tetra-hydrate.","authors":"Aarón Pérez-Benítez, Jorge Luis Ariza-Ramírez, Monserrat Fortis-Valera, Rosa Elena Arroyo-Carmona, María Isabel Martínez de la Luz, Diego Ramírez-Contreras, Sylvain Bernès","doi":"10.1107/S2414314622006277","DOIUrl":"10.1107/S2414314622006277","url":null,"abstract":"<p><p>The title compound, (C<sub>4</sub>H<sub>12</sub>N<sub>5</sub>)<sub>4</sub>(C<sub>2</sub>H<sub>7</sub>N<sub>4</sub>O)<sub>2</sub>[V<sub>10</sub>O<sub>28</sub>]·4H<sub>2</sub>O, is a by-product obtained by reacting ammonium metavanadate(V), metformin hydro-chloride and acetic acid in the presence of sodium hypochlorite, at pH = 5. The crystal structure comprises a deca-vanadate(V) anion (V<sub>10</sub>O<sub>28</sub>)<sup>6-</sup> lying on an inversion centre in space group <i>P</i> , while cations and solvent water mol-ecules are placed in general positions, surrounding the anion, and forming numerous N-H⋯O and O-H⋯O hydrogen bonds. Metforminium (C<sub>4</sub>H<sub>12</sub>N<sub>5</sub>)<sup>+</sup> and guanylurea (C<sub>2</sub>H<sub>7</sub>N<sub>4</sub>O)<sup>+</sup> cations display the expected shape. Inter-estingly, in physiology the latter cation is known to be the main metabolite of the former one. The reported structure thus supports the role of sodium hypochlorite as an oxidizing reagent being able to degrade metformin hydro-chloride to form guanylurea.</p>","PeriodicalId":14692,"journal":{"name":"IUCrData","volume":"7 Pt 6","pages":"x220627"},"PeriodicalIF":0.0,"publicationDate":"2022-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462036/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"40669524","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 : 2022-06-16eCollection Date: 2022-06-01DOI: 10.1107/S2414314622006186
Florian Schröder, Martin Köckerling
The title compound, [Nb6Cl12I2(H2O)4]·8THF (THF is tetra-hydro-furan, C4H8O), comprises an uncharged niobium cluster unit surrounded by THF solvent mol-ecules. The edges of the {Nb6} octa-hedron are μ2-coordinated by twelve chlorido ligands. Four in-plane (equatorial plane) aqua ligands and two iodido ligands coordinating above and below the plane are bound at the corners of the {Nb6} atomic octa-hedron. O-H⋯O hydrogen bonds are formed between the aqua ligands and the THF solvent mol-ecules; one THF molecule is disordered over two positions with the major component having a site occupancy of 0.64 (2).
{"title":"Tetra-aqua-dodekakis-μ<sub>2</sub>-chlorido-di-iodido-<i>octa-hedro</i>-hexa-niobium(12 <i>Nb</i>-<i>Nb</i>) tetra-hydro-furan octa-solvate.","authors":"Florian Schröder, Martin Köckerling","doi":"10.1107/S2414314622006186","DOIUrl":"10.1107/S2414314622006186","url":null,"abstract":"<p><p>The title compound, [Nb<sub>6</sub>Cl<sub>12</sub>I<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>]·8THF (THF is tetra-hydro-furan, C<sub>4</sub>H<sub>8</sub>O), comprises an uncharged niobium cluster unit surrounded by THF solvent mol-ecules. The edges of the {Nb<sub>6</sub>} octa-hedron are <i>μ</i> <sub>2</sub>-coordinated by twelve chlorido ligands. Four in-plane (equatorial plane) aqua ligands and two iodido ligands coordinating above and below the plane are bound at the corners of the {Nb<sub>6</sub>} atomic octa-hedron. O-H⋯O hydrogen bonds are formed between the aqua ligands and the THF solvent mol-ecules; one THF molecule is disordered over two positions with the major component having a site occupancy of 0.64 (2).</p>","PeriodicalId":14692,"journal":{"name":"IUCrData","volume":"7 Pt 6","pages":"x220618"},"PeriodicalIF":0.0,"publicationDate":"2022-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462034/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"40669519","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 : 2022-06-10eCollection Date: 2022-06-01DOI: 10.1107/S2414314622005983
Walid Guerrab, Abderrazzak El Moutaouakil Ala Allah, Abdulsalam Alsubari, Joel T Mague, Youssef Ramli
The imidazolidine ring in the title mol-ecule, C19H20N2O2, is slightly 'ruffled'. In the crystal, a layer structure is generated by N-H⋯O and C-H⋯O hydrogen bonds plus C-H⋯π(ring) inter-actions.
{"title":"3-Isobutyl-5,5-di-phenyl-imidazolidine-2,4-dione.","authors":"Walid Guerrab, Abderrazzak El Moutaouakil Ala Allah, Abdulsalam Alsubari, Joel T Mague, Youssef Ramli","doi":"10.1107/S2414314622005983","DOIUrl":"10.1107/S2414314622005983","url":null,"abstract":"<p><p>The imidazolidine ring in the title mol-ecule, C<sub>19</sub>H<sub>20</sub>N<sub>2</sub>O<sub>2</sub>, is slightly 'ruffled'. In the crystal, a layer structure is generated by N-H⋯O and C-H⋯O hydrogen bonds plus C-H⋯π(ring) inter-actions.</p>","PeriodicalId":14692,"journal":{"name":"IUCrData","volume":"7 Pt 6","pages":"x220598"},"PeriodicalIF":0.0,"publicationDate":"2022-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462038/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"40669523","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 : 2022-06-10eCollection Date: 2022-06-01DOI: 10.1107/S2414314622006071
Peter W R Corfield
The chemical formulation of the title compound was established as trans-[PtCl{P(C2H5)3(CO)}BF4 by single-crystal X-ray analysis, in contrast to the five-coordinate tetra-fluoro-ethyl-ene complex that had been anti-cipated. The compound had been prepared by reaction of trans-PtHCl(P(C2H5)3)2 with C2F4 in the absence of air, and the presence of the carbonyl group was not suspected. The square-planar cations and BF4- anions are linked by C-H⋯F and C-H⋯O inter-actions into thick wavy (010) sheets. The present crystal-structure refinement is based on the original intensity data recorded in 1967.
{"title":"<i>trans</i>-Carbonyl-chlorido-bis-(tri-ethyl-phosphane-κ<i>P</i>)platinum(II) tetra-fluorido-borate.","authors":"Peter W R Corfield","doi":"10.1107/S2414314622006071","DOIUrl":"10.1107/S2414314622006071","url":null,"abstract":"<p><p>The chemical formulation of the title compound was established as <i>trans</i>-[PtCl{P(C<sub>2</sub>H<sub>5</sub>)<sub>3</sub>(CO)}BF<sub>4</sub> by single-crystal X-ray analysis, in contrast to the five-coordinate tetra-fluoro-ethyl-ene complex that had been anti-cipated. The compound had been prepared by reaction of <i>trans</i>-PtHCl(P(C<sub>2</sub>H<sub>5</sub>)<sub>3</sub>)<sub>2</sub> with C<sub>2</sub>F<sub>4</sub> in the absence of air, and the presence of the carbonyl group was not suspected. The square-planar cations and BF<sub>4</sub> <sup>-</sup> anions are linked by C-H⋯F and C-H⋯O inter-actions into thick wavy (010) sheets. The present crystal-structure refinement is based on the original intensity data recorded in 1967.</p>","PeriodicalId":14692,"journal":{"name":"IUCrData","volume":"7 Pt 6","pages":"x220607"},"PeriodicalIF":0.0,"publicationDate":"2022-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462037/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"40669521","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}