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Crystal structure of tin(II) perchlorate trihydrate. 三水合高氯酸锡的晶体结构。
IF 0.9 Pub Date : 2014-11-12 eCollection Date: 2014-12-01 DOI: 10.1107/S1600536814024283
Erik Hennings, Horst Schmidt, Martin Köhler, Wolfgang Voigt

The title compound, [Sn(H2O)3](ClO4)2, was synthesized by the redox reaction of copper(II) perchlorate hexa-hydrate and metallic tin in perchloric acid. Both the trigonal-pyramidal [Sn(H2O)3](2+) cations and tetra-hedral perchlorate anions lie on crystallographic threefold axes. In the crystal, the cations are linked to the anions by O-H⋯O hydrogen bonds, generating (001) sheets.

以六水合高氯酸铜(II)与金属锡在高氯酸中氧化还原反应合成了标题化合物[Sn(H2O)3](ClO4)2。三角锥体[Sn(H2O)3](2+)阳离子和四面体高氯酸盐阴离子均位于晶体三轴上。在晶体中,阳离子通过O- h⋯O氢键与阴离子相连,产生(001)片。
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引用次数: 5
Crystal structure of tin(IV) chloride octa-hydrate. 八水合物氯化锡(IV)的晶体结构。
IF 0.9 Pub Date : 2014-11-12 eCollection Date: 2014-12-01 DOI: 10.1107/S1600536814024271
Erik Hennings, Horst Schmidt, Wolfgang Voigt

The title compound, [SnCl4(H2O)2]·6H2O, was crystallized according to the solid-liquid phase diagram at lower temperatures. It is built-up of SnCl4(H2O)2 octa-hedral units (point group symmetry 2) and lattice water mol-ecules. An intricate three-dimensional network of O-H⋯O and O-H⋯Cl hydrogen bonds between the complex molecules and the lattice water molecules is formed in the crystal structure.

标题化合物[SnCl4(H2O)2]·6H2O根据固液相图在低温下结晶。它是由SnCl4(H2O)2八面体单元(点群对称2)和晶格水分子组成的。在晶体结构中形成了复杂分子和晶格水分子之间的O- h⋯O和O- h⋯Cl氢键的复杂三维网络。
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引用次数: 2
Crystal structure of 2-(2,4-di-chloro-phen-yl)-4-hydroxy-9-phenyl-sulfonyl-9H-carbazole-3-carbaldehyde. 2-(2,4-二氯苯基)-4-羟基-9-苯基磺基- 9h -咔唑-3-乙醛的晶体结构。
IF 0.9 Pub Date : 2014-11-08 eCollection Date: 2014-12-01 DOI: 10.1107/S1600536814024064
M Umadevi, B M Ramalingam, R Yamuna, A K Mohanakrishnan, G Chakkaravarthi

In the title compound, C25H15Cl2NO4S, the di-chloro-phenyl ring is twisted by 68.69 (11)° from the mean plane of the carbazole ring system [r.m.s. deviation = 0.084 (2)°]. The hy-droxy group is involved in an intra-molecular O-H⋯O hydrogen bond, which generates an S(6) graph-set motif. In the crystal, pairs of C-H⋯Cl hydrogen bonds link mol-ecules into inversion dimers with an R (2) 2(26) motif. Weak C-H⋯O inter-actions further link these dimers into ribbons propagating in [100].

在标题化合物C25H15Cl2NO4S中,二氯苯基环与咔唑环体系的平均平面旋转了68.69(11)°[r.m.s]。偏差= 0.084(2)°]。羟基参与分子内O- h⋯O氢键,产生S(6)图集基序。在晶体中,一对对C-H⋯Cl氢键将分子连接成具有R(2) 2(26)基序的倒置二聚体。弱的C-H⋯O相互作用进一步将这些二聚体连接成在[100]中传播的条带。
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引用次数: 1
Crystal structure of 2-[12-methyl-14-phenyl-10,13,14,16-tetra-aza-tetra-cyclo[7.7.0.0(2,7).0(11,15)]hexa-deca-1(16),2,4,6,9,11(15),12-heptaen-8-yl-idene]propandi-nitrile. 2-[12-甲基-14-苯基-10,13,14,16-四氮杂-四环[7.7.0.0(2,7).0(11,15)]六-十-1(16),2,4,6,9,11(15),12-庚-8-基烯]丙腈的晶体结构。
IF 0.9 Pub Date : 2014-11-08 eCollection Date: 2014-12-01 DOI: 10.1107/S1600536814024167
Joel T Mague, Shaaban K Mohamed, Mehmet Akkurt, Hussein M S El-Kashef, Mustafa R Albayati

In the title mol-ecule, C22H12N6, the fused tetracyclic core shows a small lengthwise twist as indicated by the dihedral of 2.7 (2)° between the outer rings. In the crystal, mol-ecules stack along the b-axis direction via offset π-stacking [centroid-centroid distances = 3.5282 (13) and 3.5597 (14) Å] with the stacks weakly associated through C-H⋯N hydrogen bonds. The phenyl ring is rotationally disordered over two orientations with an occupancy ratio of 0.516 (4):0.484 (4).

在标题分子C22H12N6中,熔合的四环核心显示出一个小的纵向扭曲,外环之间的二面体为2.7(2)°。在晶体中,分子沿b轴方向通过偏移π堆叠[质心-质心距离= 3.5282(13)和3.5597 (14)Å]堆叠,并通过C-H⋯N氢键弱关联。苯环在两个方向上旋转无序,占据比为0.516(4):0.484(4)。
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引用次数: 1
Crystal structure of the ternary silicide Gd2Re3Si5. 三元硅化物Gd2Re3Si5的晶体结构。
IF 0.9 Pub Date : 2014-11-08 eCollection Date: 2014-12-01 DOI: 10.1107/S1600536814024234
Vitaliia Fedyna, Roksolana Kozak, Roman Gladyshevskii

A single crystal of the title compound, the ternary silicide digadolinium trirhenium penta-silicide, Gd2Re3Si5, was isolated from an alloy of nominal composition Gd20Re30Si50 synthesized by arc melting and investigated by X-ray single-crystal diffraction. Its crystal structure belongs to the U2Mn3Si5 structure type. All atoms in the asymmetric lie on special positions. The Gd site has site symmetry m..; the two Mn atoms have site symmetries m.. and 2.22; the three Si atoms have site symmetries m.., ..2 and 4.. . The coordination polyhedra of the Gd atoms have 21 vertices, while those of the Re atoms are cubo-octa-hedra and 13-vertex polyhedra. The Si atoms are arranged as tricapped trigonal prisms, bicapped square anti-prisms, or 11-vertex polyhedra. The crystal structure of the title compound is also related to the structure types CaBe2Ge2 and W5Si3. It can be represented as a stacking of Gd-centred polyhedra of composition [GdSi9]. The Re atoms form infinite chains with an Re-Re distance of 2.78163 (5) Å and isolated squares with an Re-Re distance of 2.9683 (6) Å.

从名义成分为Gd20Re30Si50的合金中分离出了标题化合物二adadolinium trihenium五硅化物Gd2Re3Si5的单晶,并用x射线单晶衍射对其进行了研究。其晶体结构属于U2Mn3Si5结构型。不对称结构中的所有原子都位于特殊位置。Gd位点具有位点对称m..;两个Mn原子具有位置对称性m。和2.22;三个Si原子具有位对称性m。, . .2和4…Gd原子的配位多面体有21个顶点,而Re原子的配位多面体为立方八面体和13顶点多面体。硅原子排列成三棱柱、二棱柱方形反棱柱或11顶点多面体。标题化合物的晶体结构也与结构类型CaBe2Ge2和W5Si3有关。它可以表示为以gd为中心的组成多面体的堆叠[GdSi9]。Re原子形成无限链,Re-Re距离为2.78163 (5)Å, Re-Re距离为2.9683 (6)Å。
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引用次数: 0
Crystal structure of betulinic acid methanol monosolvate. 白桦酸甲醇单溶剂化物的晶体结构。
IF 0.9 Pub Date : 2014-11-08 eCollection Date: 2014-12-01 DOI: 10.1107/S1600536814023848
Wei Tang, Neng-Hua Chen, Guo-Qiang Li, Guo-Cai Wang, Yao-Lan Li

The title compound [systematic name: 3β-hy-droxy-lup-20(29)-en-28-oic acid methanol monosolvate], C30H48O3·CH3OH, is a solvent pseudopolymorph of a naturally occurring plant-derived lupane-type penta-cyclic triterpenoid, which was isolated from the traditional Chinese medicinal plant Syzygium jambos (L.) Alston. The dihedral angle between the planes of the carb-oxy-lic acid group and the olefinic group is 12.17 (18)°. The A/B, B/C, C/D and D/E ring junctions are all trans-fused. In the crystal, O-H⋯O hydrogen bonds involving the hy-droxy and carb-oxy-lic acid groups and the methanol solvent mol-ecule give rise to a two-dimensional network structure lying parallel to (001).

标题化合物[系统名称:3β-羟基-羟基-20(29)-烯-28-羟基酸甲醇单溶剂化物]C30H48O3·CH3OH是天然存在的植物来源的豆烷型五环三萜的溶剂伪多构象,该化合物从传统药用植物三叶草(L.)中分离得到。阿尔斯通。碳氧基与烯烃基平面之间的二面角为12.17(18)°。A/B、B/C、C/D和D/E环形接点均为输血。在晶体中,O- h⋯O氢键涉及羟基和碳氧酸基团以及甲醇溶剂分子,产生平行于(001)的二维网络结构。
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引用次数: 6
Crystal structure of bis-(propane-1,3-diaminium) hexa-fluorido-aluminate di-aqua-tetra-fluorido-aluminate tetra-hydrate. 二(丙烷-1,3-二胺)六氟铝酸酯二水四氟铝酸酯四水合物的晶体结构。
IF 0.9 Pub Date : 2014-11-08 eCollection Date: 2014-12-01 DOI: 10.1107/S1600536814024155
Insaf Abdi, Khulood Al-Sadhan, Amor Ben Ali

The title compound, (C3H12N2)2[AlF6][AlF4(H2O)2]·4H2O, was obtained by a solvothermal method in ethanol as solvent and with aluminium hydroxide, HF and 1,3-di-amino-propane as educts. The asymmetric unit contains a quarter each of two crystallographically independent propane-1,3-di-ammonium dicat-ions, [AlF6](3-) and [AlF4(H2O)2](-) anions and four water mol-ecules. The cations, anions and three of the independent water mol-ecules are situated on special positions mm, while the fourth water mol-ecule is disordered about a mirror plane. In the crystal, inter-molecular N-H⋯F and O-H⋯F hydrogen bonds link the cations and anions into a three-dimensional framework with the voids filled by water mol-ecules, which generate O-H⋯O hydrogen bonds and further consolidate the packing.

以乙醇为溶剂,氢氧化铝、氢氟烃和1,3-二氨基丙烷为溶剂,采用溶剂热法合成了标题化合物(C3H12N2)2[AlF6][AlF4(H2O)2]·4H2O。不对称单元包含两个晶体独立的丙烷-1,3-二铵离子[AlF6](3-)和[AlF4(H2O)2](-)阴离子各四分之一和四个水分子。阳离子、阴离子和三个独立的水分子位于特殊位置mm,而第四个水分子在镜像平面上无序。在晶体中,分子间的N-H⋯F和O- h⋯F氢键将阳离子和阴离子连接成一个三维框架,其中的空隙被水分子填充,从而产生O- h⋯O氢键并进一步巩固填料。
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引用次数: 0
Crystal structure of (E)-4-{[2-(2,4-di-nitro-phen-yl)hydrazin-1-yl-idene]meth-yl}-3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole. (E)-4-{[2-(2,4-二硝基苯基)肼-1-基-二硝基]甲基}-3-甲基-1-苯基-5-(1h -吡咯-1-基)- 1h -吡唑的晶体结构。
IF 0.9 Pub Date : 2014-11-08 eCollection Date: 2014-12-01 DOI: 10.1107/S1600536814024039
Joel T Mague, Shaaban K Mohamed, Mehmet Akkurt, Hussein M S El-Kashef, Mustafa R Albayati

The title compound, C21H17N7O4, is in an 'extended' conformation aided by an intra-molecular N-H⋯O hydrogen bond. The pyrazole ring makes dihedral angles of 29.17 (6), 65.47 (4) and 9.91 (7)°, respectively, with the phenyl, pyrrole and benzene rings. In the crystal, mol-ecules are connected by pairs of N-H⋯O and C-H⋯O hydrogen bonds, forming inversion dimers which associate into ribbons running along the b axis through complementary C-H⋯O inter-actions.

标题化合物c21h17n704在分子内N-H⋯O氢键的帮助下处于“扩展”构象。吡唑环与苯环、吡咯环和苯环分别成29.17(6)、65.47(4)和9.91(7)°的二面角。在晶体中,分子由一对对N-H⋯O和C-H⋯O氢键连接,形成倒置二聚体,通过互补的C-H⋯O相互作用结合成沿b轴运行的带状。
{"title":"Crystal structure of (E)-4-{[2-(2,4-di-nitro-phen-yl)hydrazin-1-yl-idene]meth-yl}-3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole.","authors":"Joel T Mague,&nbsp;Shaaban K Mohamed,&nbsp;Mehmet Akkurt,&nbsp;Hussein M S El-Kashef,&nbsp;Mustafa R Albayati","doi":"10.1107/S1600536814024039","DOIUrl":"https://doi.org/10.1107/S1600536814024039","url":null,"abstract":"<p><p>The title compound, C21H17N7O4, is in an 'extended' conformation aided by an intra-molecular N-H⋯O hydrogen bond. The pyrazole ring makes dihedral angles of 29.17 (6), 65.47 (4) and 9.91 (7)°, respectively, with the phenyl, pyrrole and benzene rings. In the crystal, mol-ecules are connected by pairs of N-H⋯O and C-H⋯O hydrogen bonds, forming inversion dimers which associate into ribbons running along the b axis through complementary C-H⋯O inter-actions. </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2014-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S1600536814024039","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32945290","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: 1
Crystal structure of {3-[3,5-bis-(2,6-di-methyl-phen-yl)-1,2-phenyl-ene]-1-(2,6,2'',6''-tetra-methyl-1,1':3',1''-ter-phen-yl-5'-yl)imidazol-2-yl-idene}chlorido-(η(6)-p-cymene)ruthenium(II) benzene disolvate. 水晶的学院——3——[3,5-bis (2,6-di-methyl-phen-yl) -1,2-phenyl-ene]达到华(2,6,2 " 6 " -tetra-methyl-1,1: 3 (" 1 " -ter-phen-yl-5 -yl) imidazol-2-yl-idene chlorido……-(η(6)-p-cymene钌(II) benzene disolvate .
IF 0.9 Pub Date : 2014-11-08 eCollection Date: 2014-12-01 DOI: 10.1107/S160053681402399X
Shohei Sase, Yuriko Ikehara, Kei Goto

The title compound, [Ru(C47H43N2)Cl(C10H14)]·2C6H6, crystallized with two independent mol-ecules of benzene. One of the N-aryl moieties of the N-heterocyclic carbene (NHC) ligand underwent cyclo-metallation to form a five-membered ruthenacycle. The complex has a three-legged piano-stool structure with two C atoms incorporated in the five-membered ruthenacycle and a Cl atom as legs. The ruthenacycle is essentially coplanar with the imidazole ring of the NHC ligand, making a dihedral angle of 0.85 (8)°.

标题化合物[Ru(C47H43N2)Cl(C10H14)]·2C6H6与两个独立的苯分子结晶。n -杂环碳(NHC)配体的一个n -芳基部分经过环金属化形成一个五元钌环。该复合物具有三脚钢琴凳结构,其中两个C原子合并在五元钌环中,一个Cl原子作为腿。钌环与NHC配体的咪唑环基本共面,形成0.85(8)°的二面角。
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引用次数: 0
Crystal structure of (2-{3-[4-(4'-cyano-biphenyl-4-yl-oxy)but-oxy]pyridin-2-yl-κN}-5-(dodec-yloxy)phenyl-κC (1))(9-oxo-tetra-cos-7-en-7-olato-κ(2) O,O')platinum(II). (2-{3-[4-(4'-氰基-联苯-4-基-氧基)但氧基]吡啶-2-基-kN}-5-(十二酰氧基)苯基kC(1))(9-氧代-四-cos-7-en-7-olato-k(2)O,O’)铂(II)的晶体结构。
IF 0.9 Pub Date : 2014-11-05 eCollection Date: 2014-12-01 DOI: 10.1107/S1600536814021928
Kaijun Luo, Hanlin Liu, Qing Guo, Daibing Luo

The central Pt(II) atom in the title compound, [Pt(C40H47N2O3)(C24H45O2)], has a slightly distorted square-planar coordination environment. The dihedral angle between the plane formed by Pt and the chelating C and N atoms and that formed by Pt and the chelating O atoms is 2.1 (3)°. The angle between the planes of the two rings in the biphenyl-4-carbo-nitrile unit is 35.1 (5)°. One lateral alkane chain is disordered over two sets of sites with site occupancy factors in a 0.595 (7):0.405 (7) ratio.

标题化合物[Pt(C40H47N2O3)(C24H45O2)]的中心Pt(II)原子具有轻微畸变的方平面配位环境。Pt与螯合的C、N原子形成的平面与Pt与螯合的O原子形成的平面的二面角为2.1(3)°。在联苯-4-碳腈单元中,两个环的平面夹角为35.1(5)°。一条侧烷烃链在两组位点上无序分布,位点占用系数为0.595(7):0.405(7)。
{"title":"Crystal structure of (2-{3-[4-(4'-cyano-biphenyl-4-yl-oxy)but-oxy]pyridin-2-yl-κN}-5-(dodec-yloxy)phenyl-κC (1))(9-oxo-tetra-cos-7-en-7-olato-κ(2) O,O')platinum(II).","authors":"Kaijun Luo,&nbsp;Hanlin Liu,&nbsp;Qing Guo,&nbsp;Daibing Luo","doi":"10.1107/S1600536814021928","DOIUrl":"https://doi.org/10.1107/S1600536814021928","url":null,"abstract":"<p><p>The central Pt(II) atom in the title compound, [Pt(C40H47N2O3)(C24H45O2)], has a slightly distorted square-planar coordination environment. The dihedral angle between the plane formed by Pt and the chelating C and N atoms and that formed by Pt and the chelating O atoms is 2.1 (3)°. The angle between the planes of the two rings in the biphenyl-4-carbo-nitrile unit is 35.1 (5)°. One lateral alkane chain is disordered over two sets of sites with site occupancy factors in a 0.595 (7):0.405 (7) ratio. </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2014-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S1600536814021928","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32945362","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
期刊
Acta crystallographica. Section E, Structure reports online
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