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cis,cis,cis-Di­chlorido­bis­(N 4,N 4-di­methyl­pyridin-4-amine-κN 1)bis­(dimethyl sulfoxide-κS)ruthenium(II) 顺式,顺式,顺式-二氯双(N 4,N 4-二甲基吡啶-4-胺-κN 1)双(二甲基亚砜-κS)钌(II)
Pub Date : 2024-03-01 DOI: 10.1107/S2414314624001913
Esther H. Park , Sarah M. Ortiz , Todd K. Liang , Bradley W. Smucker , S. Bernès (Editor)

In the structure of the title compound, the Ru—N distances of the DMAP ligands are influenced by the trans chloride or di­methyl­sulfoxide-κS ligands.

The structure of the title compound, [RuCl2(C7H10N2)2(C2H6OS)2], has monoclinic (P21/n) symmetry. The Ru—N distances of the coordination compound are influenced by the trans chloride or di­methyl­sulfoxide-κS ligands. The mol­ecular structure exhibits disorder for two of the terminal methyl groups of a dimethyl sulfoxide ligand.

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标题化合物[RuCl2(C7H10N2)2(C2H6OS)2]的结构具有单斜(P21/n)对称性。配位化合物的 Ru-N 间距受反式氯或二甲基亚砜-κS 配体的影响。分子结构中二甲基亚砜配体的两个末端甲基呈现无序状态。
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引用次数: 0
trans-Di­bromido­tetra­kis­(5-methyl-1H-pyrazole-κN 2)manganese(II) 反式二溴四(5-甲基-1H-吡唑-κN 2)锰(II)
Pub Date : 2024-03-01 DOI: 10.1107/S2414314624002372
Manikumar Athan , Soundararajan Krishnan , Nagarajan Loganathan , M. Zeller (Editor)

The title compound was synthesized using Mn(CO)5Br. The manganese atom is situated on a crystallographic inversion center. The supra­molecular architecture is characterized by several inter­molecular C—H⋯N, N—H⋯Br and C—H⋯π inter­actions.

The title compound, trans-di­bromido­tetra­kis­(5-methyl-1H-pyrazole-κN 2)manganese(II), [MnBr2(C4H6N2)4] or [Mn(3-MePzH)4Br2] (1) crystallizes in the triclinic P

space group with the cell parameters a = 7.6288 (3), b = 8.7530 (4), c = 9.3794 (4) Å and α = 90.707 (4), β = 106.138 (4), γ = 114.285 (5)°, V = 542.62 (5) Å3, T = 120 K. The asymmetric unit contains only half the mol­ecule with the manganese atom is situated on a crystallographic inversion center. The 3-MePzH ligands are present in an AABB type manner with two methyl groups pointing up and the other two down. The supra­molecular architecture is characterized by several inter­molecular C—H⋯N, N—H⋯Br, and C—H⋯π inter­actions. Earlier, a polymorphic structure of [Mn(3-MePzH)4Br2] (2) with a similar geometry and also an AABB arrangement for the pyrazole ligands was described [Reedijk et al. (1971#). Inorg. Chem. 10, 2594–2599; a = 8.802 (6), b = 9.695 (5), c = 7.613 (8) Å and α = 105.12 (4), β = 114.98 (4), γ = 92.90 (3)°, V = 558.826 (5) Å3, T = 295 K]. A varying supra­molecular pattern was reported, with the structure of 1 featuring a herringbone type pattern while that of structure 2 shows a pillared network type of arrangement along the a axis. A nickel complex [Ni(3-MePzH)4Br2] isomorphic to 1 and the analogous chloro derivatives of FeII, CoII and CuII are also known.
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标题化合物,反式二溴四(5-甲基-1H-吡唑-κN 2)锰(II),[MnBr2(C4H6N2)4]或[Mn(3-MePzH)4Br2](1)在三菱 Poverline{1} 空间群中结晶,晶胞参数 a = 7.6288 (3),b = 8.7530 (4),c = 9.3794 (4)埃,α = 90.707 (4),β = 106.138 (4),γ = 114.285 (5)°,V = 542.62 (5)埃3,T = 120 K。不对称单元只包含一半分子,锰原子位于晶体学反转中心。3-MePzH 配体以 AABB 型方式存在,其中两个甲基朝上,另外两个朝下。这种超分子结构的特点是分子间存在多种 C-H...N、N-H...Br 和 C-H...π 相互作用。早些时候,有人描述了[Mn(3-MePzH)4Br2] (2) 的多态结构,其几何形状相似,吡唑配体也呈 AABB 排列[Reedijk 等人 (1971).Inorg.Chem.10, 2594-2599; a = 8.802 (6), b = 9.695 (5), c = 7.613 (8) Å and α = 105.12 (4), β = 114.98 (4), γ = 92.90 (3)°, V = 558.826 (5) Å3, T = 295 K]。报告中的超分子结构形态各异,结构 1 呈人字形排列,而结构 2 则沿 a 轴呈柱状网络排列。与结构 1 同构的镍配合物 [Ni(3-MePzH)4Br2] 以及 FeII、CoII 和 CuII 的类似氯衍生物也已为人所知。
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引用次数: 0
Crystal structure of defect scheelite-type Nd2/3[WO4] 缺陷白钨矿型 Nd2/3[WO4]的晶体结构
Pub Date : 2024-03-01 DOI: 10.1107/S2414314624001755
Benjamin Knies , Ingo Hartenbach , M. Weil (Editor)

The crystal structure of defect-scheelite type Nd2/3[WO4] consists of [WO4]2− tetra­hedra and trigonal [NdO8]13– dodeca­hedra.

Neodymium(III) ortho-oxidotungstate(VI) was synthesized as a side-product in an unsuccessful synthesis attempt at fluoride derivatives of neodymium tungstate in fused silica ampoules, using neodymium(III) oxide, neodymium(III) fluoride and tungsten trioxide. Violet, platelet-shaped single crystals of the title compound emerged of the bulk, which crystallize in the defect scheelite type with a trigonal dodeca­hedral coordination of oxide anions around the Nd3+ cations and the hexa­valent tungsten cations situated in the centers of oxide tetra­hedra.

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在熔融石英安瓿瓶中使用氧化钕(III)、氟化钕(III)和三氧化钨合成钨酸钕(VI)的氟化物衍生物,但未获成功。标题化合物的紫色板状单晶体从块体中出现,其结晶为有缺陷的白钨矿类型,氧化物阴离子围绕钕3+阳离子呈十二面体三方配位,六价钨阳离子位于氧化物四面体的中心。
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引用次数: 0
4-Fluoro­benzyl (Z)-2-(2-oxoindolin-3-yl­idene)hydrazine-1-carbodi­thio­ate 4-氟苄基 (Z)-2-(2-氧代吲哚啉-3-亚基)肼-1-二硫代碳酸酯
Pub Date : 2024-03-01 DOI: 10.1107/S2414314624002359
Mohd Abdul Fatah Abdul Manan , David B. Cordes , Aidan P. McKay , W. T. A. Harrison (Editor)

The crystal structure of a new fluorinated di­thio­carbazate imine containing the isatin moiety, 4-fluoro­benzyl (Z)-2-(2-oxoindolin-3-yl­idene)hydrazine-1-carbodi­thio­ate, is described.

The title compound, C16H12FN3OS, a fluorinated di­thio­carbazate imine derivative, was synthesized by the one-pot, multi-component condensation reaction of hydrazine hydrate, carbon di­sulfide, 4-fluoro­benzyl chloride and isatin. The compound demonstrates near-planarity across much of the mol­ecule in the solid state and a Z configuration for the azomethine C=N bond. The Z form is further stabilized by the presence of an intra­molecular N—H⋯O hydrogen bond. In the extended structure, mol­ecules are linked into dimers by N—H⋯O hydrogen bonds and further connected into chains along either [2

0] or [100] by weak C—H⋯S and C—H⋯F hydrogen bonds, which further link into corrugated sheets and in combination form the overall three-dimensional network.
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标题化合物 C16H12FN3OS 是一种含氟二硫代氨基甲酸亚胺衍生物,是通过水合肼、二硫化碳、对氟苄氯和异atin 的单锅多组分缩合反应合成的。该化合物在固态下大部分分子接近平面,偶氮甲基 C=N 键呈 Z 型构型。分子内 N-H...O 氢键的存在进一步稳定了 Z 型结构。在扩展结构中,分子通过 N-H...O 氢键连接成二聚体,并通过微弱的 C-H...S 和 C-H...F 氢键沿着 [2overline{1}0] 或 [100] 进一步连接成链,这些链进一步连接成波纹状薄片,并结合在一起形成整个三维网络。
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引用次数: 0
5-Bromo-2-(phenyl­amino)­benzoic acid 5-溴-2-(苯基氨基)苯甲酸
Pub Date : 2024-03-01 DOI: 10.1107/S2414314624001986
Liping Kang , Sihui Long , W. T. A. Harrison (Editor)

The mol­ecules of the title compound pair up to form carb­oxy­lic acid–carb­oxy­lic acid homodimers in the crystal structure.

The title compound, C13H10BrNO2, was obtained by the reaction of 2,5-di­bromo­benzoic acid and aniline. The mol­ecule is twisted with a dihedral angle between the aromatic rings of 45.74 (11)° and an intr­amolecular N—H⋯O hydrogen bond is seen. In the crystal, pairwise O—H⋯O hydrogen bonds generate carb­oxy­lic acid inversion dimers.

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标题化合物 C13H10BrNO2 是由 2,5-二溴苯甲酸和苯胺反应得到的。分子呈扭曲状,芳香环之间的二面角为 45.74 (11)°,并出现分子内 N-H...O 氢键。在晶体中,成对的 O-H...O 氢键产生羧酸反转二聚体。
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引用次数: 0
2-Ferrocenyl-2-[(2-ferrocenylethen­yl)(morpholin-4-yl)meth­yl]-1,3-di­thiol­ane 2-二茂铁基-2-[(2-二茂铁基乙烯基)(吗啉-4-基)甲基]-1,3-二硫环戊烷
Pub Date : 2024-03-01 DOI: 10.1107/S2414314624002347
Claudia Oliva-Colunga , Jessica J. Sánchez García , Marcos Flores-Alamo , Elena I. Klimova , E. R. T. Tiekink (Editor)

The structure of 2-ferrocenyl-2-[(2-ferrocenylethen­yl)(morpholin-4-yl)meth­yl]-1,3-di­thiol­ane, is described. In the crystal, cyclo­penta­dienyl-C—H⋯O(morpholin­yl) inter­actions feature within helical chains parallel to the c-axis direction. The chains are connected by methyl­ene- and cyclo­penta­dienyl-C—H⋯O(cyclo­penta­dien­yl) inter­actions.

The mol­ecular structure of 2-ferrocenyl-2-[(2-ferrocenylethen­yl)(morpholin-4-yl)meth­yl]-1,3-di­thiol­ane, [Fe2(C5H5)2(C19H21NOS2)] or C29H31Fe2NOS2, has the ferrocenyl fragments in a trans disposition with respect to the vinyl group. One of the methyl­ene groups is disordered over two sites with occupancies of 0.782 (13):0.218 (13). In the crystal, cyclo­penta­dienyl-C—H⋯O(morpholin­yl) inter­actions feature within helical chains parallel to the c-axis direction. The chains are connected by methyl­ene- and cyclo­penta­dienyl-C—H⋯O(cyclo­penta­dien­yl) inter­actions.

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2-ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane, [Fe2(C5H5)2(C19H21NOS2)] 或 C29H31Fe2NOS2 的分子结构中,二茂铁基片段与乙烯基呈反式排列。其中一个亚甲基杂乱地分布在两个位点上,占据率分别为 0.782 (13):0.218 (13)。在晶体中,环戊二烯基-C-H...O(吗啉基)相互作用在平行于 c 轴方向的螺旋链上。这些链通过亚甲基和环戊二烯基-C-H...O(环戊二烯基)相互作用连接起来。
{"title":"2-Ferrocenyl-2-[(2-ferrocenylethen­yl)(morpholin-4-yl)meth­yl]-1,3-di­thiol­ane","authors":"Claudia Oliva-Colunga ,&nbsp;Jessica J. Sánchez García ,&nbsp;Marcos Flores-Alamo ,&nbsp;Elena I. Klimova ,&nbsp;E. R. T. Tiekink (Editor)","doi":"10.1107/S2414314624002347","DOIUrl":"10.1107/S2414314624002347","url":null,"abstract":"<div><p>The structure of 2-ferrocenyl-2-[(2-ferrocenylethen­yl)(morpholin-4-yl)meth­yl]-1,3-di­thiol­ane, is described. In the crystal, cyclo­penta­dienyl-C—H⋯O(morpholin­yl) inter­actions feature within helical chains parallel to the <em>c</em>-axis direction. The chains are connected by methyl­ene- and cyclo­penta­dienyl-C—H⋯O(cyclo­penta­dien­yl) inter­actions.</p></div><div><p>The mol­ecular structure of 2-ferrocenyl-2-[(2-ferrocenylethen­yl)(morpholin-4-yl)meth­yl]-1,3-di­thiol­ane, [Fe<sub>2</sub>(C<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(C<sub>19</sub>H<sub>21</sub>NOS<sub>2</sub>)] or C<sub>29</sub>H<sub>31</sub>Fe<sub>2</sub>NOS<sub>2</sub>, has the ferrocenyl fragments in a <em>trans</em> disposition with respect to the vinyl group. One of the methyl­ene groups is disordered over two sites with occupancies of 0.782 (13):0.218 (13). In the crystal, cyclo­penta­dienyl-C—H⋯O(morpholin­yl) inter­actions feature within helical chains parallel to the <em>c</em>-axis direction. The chains are connected by methyl­ene- and cyclo­penta­dienyl-C—H⋯O(cyclo­penta­dien­yl) inter­actions. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (323KB)</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":"9 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140223256","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}
引用次数: 0
Bis[S-octyl 3-(2-methyl­propyl­idene)di­thio­carb­az­ato-κ2 N 3,S]nickel(II) 双[S-辛基 3-(2-甲基亚丙基)二硫代卡巴唑-κ2 N 3 S]镍(II)
Pub Date : 2024-03-01 DOI: 10.1107/S241431462400186X
Sultana Shakila Khan , Md. Belayet Hossain Howlader , Md. Chanmiya Sheikh , Ryuta Miyatake , Ennio Zangrando , M. Weil (Editor)

The bis-chelated mononuclear nickel(II) complex shows inversion symmetry, with the di­thio­carbazato ligand in the usual trans configuration and the central metal cation in a square-planar coordination environment.

The central NiII atom in the title complex, [Ni(C13H25N2S2)2], is located on an inversion center and adopts a roughly square-planar coordination environment defined by two chelating N,S donor sets of two symmetry-related ligands in a trans configuration. The Ni—N and Ni—S bond lenghts are 1.9193 (14) and 2.1788 (5) Å, respectively, with a chelating N—Ni—S bond angle of 86.05 (4)°. These data are compared with those measured for similar di­thio­carbazato ligands that bear n-octyl or n-hexyl alkyl chains. Slight differences are observed with respect to the phenyl­ethyl­idene derivative where the ligands are bound cis relative to one another.

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标题复合物[Ni(C13H25N2S2)2]中的中心 NiII 原子位于一个反转中心上,并采用了由两个对称相关配体的两个螯合 N、S 供体组以反式构型定义的大致正方形平面配位环境。Ni-N 和 Ni-S 键长分别为 1.9193 (14) Å 和 2.1788 (5) Å,螯合 N-Ni-S 键角为 86.05 (4)°。这些数据与带有正辛基或正己基烷基链的类似二硫代咔唑配体的数据进行了比较。与苯基亚乙基衍生物相比,配体之间的顺式结合略有不同。
{"title":"Bis[S-octyl 3-(2-methyl­propyl­idene)di­thio­carb­az­ato-κ2 N 3,S]nickel(II)","authors":"Sultana Shakila Khan ,&nbsp;Md. Belayet Hossain Howlader ,&nbsp;Md. Chanmiya Sheikh ,&nbsp;Ryuta Miyatake ,&nbsp;Ennio Zangrando ,&nbsp;M. Weil (Editor)","doi":"10.1107/S241431462400186X","DOIUrl":"10.1107/S241431462400186X","url":null,"abstract":"<div><p>The bis-chelated mononuclear nickel(II) complex shows inversion symmetry, with the di­thio­carbazato ligand in the usual <em>trans</em> configuration and the central metal cation in a square-planar coordination environment.</p></div><div><p>The central Ni<sup>II</sup> atom in the title complex, [Ni(C<sub>13</sub>H<sub>25</sub>N<sub>2</sub>S<sub>2</sub>)<sub>2</sub>], is located on an inversion center and adopts a roughly square-planar coordination environment defined by two chelating <em>N</em>,<em>S</em> donor sets of two symmetry-related ligands in a <em>trans</em> configuration. The Ni—N and Ni—S bond lenghts are 1.9193 (14) and 2.1788 (5) Å, respectively, with a chelating N—Ni—S bond angle of 86.05 (4)°. These data are compared with those measured for similar di­thio­carbazato ligands that bear <em>n</em>-octyl or <em>n</em>-hexyl alkyl chains. Slight differences are observed with respect to the phenyl­ethyl­idene derivative where the ligands are bound <em>cis</em> relative to one another. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (207KB)</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":"9 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140077844","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}
引用次数: 0
Poly[(μ-2,3-diethyl-7,8-di­methyl­quinoxaline-κ2 N:N)(2,3-diethyl-7,8-di­methyl­quinoxaline-κN)-μ-nitrato-κ2 O:O′-nitrato-κ2 O,O′-disilver(I)] 聚[(μ-2,3-二乙基-7,8-二甲基喹喔啉-κ2 N:N)(2,3-二乙基-7,8-二甲基喹喔啉-κN)-μ-硝基-κ2 O:O′-硝基-κ2 O,O′-二银(I)]
Pub Date : 2024-03-01 DOI: 10.1107/S2414314624002475
Guy Crundwell , Ashley Leeds , M. Zeller (Editor)

The structure of the title compound, [Ag2(NO3)2(C14H18N2)2]n, contains subtle differences in ligand, metal, and counter-anion coordination. One quinoxaline ligand uses one of its quinoxaline N atoms to bond to one silver cation. That silver cation is bound to a second quinoxaline which, in turn, is bound to a second silver atom, thereby using both of its quinoxaline N atoms. A nitrate group bonds with one of its O atoms to the first silver and uses the same oxygen to bond to a silver atom (related by symmetry to the second), thereby forming an extended network. The second nitrate group on the other silver bonds via two nitrate O atoms; one silver cation therefore has a coordination number of three whereas the second has a coordination number of four.

The structure of the title compound, [C14H18N2)2Ag2](NO3)2, contains subtle differences in ligand, metal, and counter-anion coordination. One quinoxaline ligand uses one of its quinoxaline N atoms to bond to one silver cation. That silver cation is bound to a second quinoxaline which, in turn, is bound to a second silver atom; thereby using both of its quinoxaline N atoms. A nitrate group bonds with one of its O atoms to the first silver and uses the same oxygen to bond to a silver atom (related by symmetry to the second), thereby forming an extended network. The second nitrate group on the other silver bonds via two nitrate O atoms; one silver cation therefore has a coordination number of three whereas the second has a coordination number of four. One of the quinoxaline ligands has a disordered ethyl group.

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标题化合物[C14H18N2)2Ag2](NO3)2 的结构包含配体、金属和反离子配位的微妙差异。一个喹喔啉配体利用其中一个喹喔啉 N 原子与一个银阳离子结合。该银阳离子与第二个喹喔啉配体结合,而第二个喹喔啉配体又与第二个银原子结合,从而使用了两个喹喔啉 N 原子。硝酸基团用其一个 O 原子与第一个银原子结合,并用同一个氧原子与一个银原子(与第二个银原子对称)结合,从而形成一个扩展网络。另一个银上的第二个硝酸基团通过两个硝酸 O 原子结合;因此一个银阳离子的配位数为 3,而第二个银阳离子的配位数为 4。其中一个喹喔啉配体带有一个无序的乙基。
{"title":"Poly[(μ-2,3-diethyl-7,8-di­methyl­quinoxaline-κ2 N:N)(2,3-diethyl-7,8-di­methyl­quinoxaline-κN)-μ-nitrato-κ2 O:O′-nitrato-κ2 O,O′-disilver(I)]","authors":"Guy Crundwell ,&nbsp;Ashley Leeds ,&nbsp;M. Zeller (Editor)","doi":"10.1107/S2414314624002475","DOIUrl":"10.1107/S2414314624002475","url":null,"abstract":"<div><p>The structure of the title compound, [Ag<sub>2</sub>(NO<sub>3</sub>)<sub>2</sub>(C<sub>14</sub>H<sub>18</sub>N<sub>2</sub>)<sub>2</sub>]<sub>\u0000n\u0000</sub>, contains subtle differences in ligand, metal, and counter-anion coordination. One quinoxaline ligand uses one of its quinoxaline N atoms to bond to one silver cation. That silver cation is bound to a second quinoxaline which, in turn, is bound to a second silver atom, thereby using both of its quinoxaline N atoms. A nitrate group bonds with one of its O atoms to the first silver and uses the same oxygen to bond to a silver atom (related by symmetry to the second), thereby forming an extended network. The second nitrate group on the other silver bonds <em>via</em> two nitrate O atoms; one silver cation therefore has a coordination number of three whereas the second has a coordination number of four.</p></div><div><p>The structure of the title compound, [C<sub>14</sub>H<sub>18</sub>N<sub>2</sub>)<sub>2</sub>Ag<sub>2</sub>](NO<sub>3</sub>)<sub>2</sub>, contains subtle differences in ligand, metal, and counter-anion coordination. One quinoxaline ligand uses one of its quinoxaline N atoms to bond to one silver cation. That silver cation is bound to a second quinoxaline which, in turn, is bound to a second silver atom; thereby using both of its quinoxaline N atoms. A nitrate group bonds with one of its O atoms to the first silver and uses the same oxygen to bond to a silver atom (related by symmetry to the second), thereby forming an extended network. The second nitrate group on the other silver bonds <em>via</em> two nitrate O atoms; one silver cation therefore has a coordination number of three whereas the second has a coordination number of four. One of the quinoxaline ligands has a disordered ethyl group. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (241KB)</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":"9 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140221484","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}
引用次数: 0
{N-[1-(2-Oxidophen­yl)ethyl­idene]-dl-alaninato}(pentane-1,5-di­yl)silicon(IV) {N-[1-(2-氧代苯基)亚乙基]-DL-丙氨酸}(戊烷-1,5-二基)硅(IV)
Pub Date : 2024-03-01 DOI: 10.1107/S2414314624002281
Uwe Böhme , Sabine Fels , E. R. T. Tiekink (Editor)

The coordination geometry of the penta­coordinated SiIV atom in the title complex is a distorted trigonal bipyramid.

The title SiIV complex, C16H21NO3Si, is built up by a tridentate dinegative Schiff base ligand bound to a sila­cyclo­hexane unit. The coordination geometry of the penta­coordinated SiIV atom is a distorted trigonal bipyramid. The presence of the sila­cyclo­hexane ring in the complex leads to an unusual coordination geometry of the SiIV atom with the N atom from the Schiff base ligand and an alkyl-C atom in apical positions of the trigonal bipyramid. There is a disorder of the methyl group at the imine bond with two orientations resolved for the H atoms [major orientation = 0.55 (3)]. In the crystal, C—H⋯O inter­actions are found within corrugated layers of mol­ecules parallel to the ab plane.

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标题中的 SiIV 复合物 C16H21NO3Si 是由一个与硅环己烷单元结合的三叉二阴希夫碱配体构成的。五配位的 SiIV 原子的配位几何形状是一个扭曲的三叉二棱锥。配合物中硅环己烷环的存在导致 SiIV 原子与希夫碱配体的 N 原子和烷基-C 原子的配位几何形状不同寻常,位于三叉二棱锥的顶端位置。在亚胺键处的甲基出现了紊乱,H 原子有两种取向[主要取向 = 0.55 (3)]。在晶体中,C-H...O 相互作用存在于平行于 ab 平面的波纹状分子层中。
{"title":"{N-[1-(2-Oxidophen­yl)ethyl­idene]-dl-alaninato}(pentane-1,5-di­yl)silicon(IV)","authors":"Uwe Böhme ,&nbsp;Sabine Fels ,&nbsp;E. R. T. Tiekink (Editor)","doi":"10.1107/S2414314624002281","DOIUrl":"10.1107/S2414314624002281","url":null,"abstract":"<div><p>The coordination geometry of the penta­coordinated Si<sup>IV</sup> atom in the title complex is a distorted trigonal bipyramid.</p></div><div><p>The title Si<sup>IV</sup> complex, C<sub>16</sub>H<sub>21</sub>NO<sub>3</sub>Si, is built up by a tridentate dinegative Schiff base ligand bound to a sila­cyclo­hexane unit. The coordination geometry of the penta­coordinated Si<sup>IV</sup> atom is a distorted trigonal bipyramid. The presence of the sila­cyclo­hexane ring in the complex leads to an unusual coordination geometry of the Si<sup>IV</sup> atom with the N atom from the Schiff base ligand and an alkyl-C atom in apical positions of the trigonal bipyramid. There is a disorder of the methyl group at the imine bond with two orientations resolved for the H atoms [major orientation = 0.55 (3)]. In the crystal, C—H⋯O inter­actions are found within corrugated layers of mol­ecules parallel to the <em>ab</em> plane. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (282KB)</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":"9 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140229088","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}
引用次数: 0
10-Bromo-N,N-di­phenyl­anthracen-9-amine 10-溴-N,N-二苯基蒽-9-胺
Pub Date : 2024-03-01 DOI: 10.1107/S2414314624002074
K. Sureshkumar , Themmila Khamrang , Madhukar Hemamalini , Dhandayutham Saravanan , G. Jerald Maria Antony , W. T. A. Harrison (Editor)

There are no significant π–π or C—H⋯π inter­actions in the extended structure of the title compound.

In the title compound, C26H18BrN, the dihedral angles between the anthracene ring system and the phenyl rings are 89.51 (14) and 74.03 (15)°. In the extended structure, a weak C—H⋯Br inter­action occurs, which generates [100] chains, but no significant π–π or C—H⋯π inter­actions are observed.

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在标题化合物 C26H18BrN 中,蒽环系统和苯基环之间的二面角分别为 89.51 (14) 和 74.03 (15)°。在扩展结构中,发生了微弱的 C-H...Br相互作用,产生了 [100] 链,但没有观察到明显的 π-π 或 C-H...π 相互作用。
{"title":"10-Bromo-N,N-di­phenyl­anthracen-9-amine","authors":"K. Sureshkumar ,&nbsp;Themmila Khamrang ,&nbsp;Madhukar Hemamalini ,&nbsp;Dhandayutham Saravanan ,&nbsp;G. Jerald Maria Antony ,&nbsp;W. T. A. Harrison (Editor)","doi":"10.1107/S2414314624002074","DOIUrl":"10.1107/S2414314624002074","url":null,"abstract":"<div><p>There are no significant π–π or C—H⋯π inter­actions in the extended structure of the title compound.</p></div><div><p>In the title compound, C<sub>26</sub>H<sub>18</sub>BrN, the dihedral angles between the anthracene ring system and the phenyl rings are 89.51 (14) and 74.03 (15)°. In the extended structure, a weak C—H⋯Br inter­action occurs, which generates [100] chains, but no significant π–π or C—H⋯π inter­actions are observed. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (278KB)</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":"9 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140248858","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}
引用次数: 0
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