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1.
Sung‐Nak Choi Sang‐Yub Kim Hae‐Wook Ryu Yong‐Min Lee 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):m504-m506
In the title compound, [HgCl2(C15H26N2)], the chiral alkaloid (6R,7S,8S,14S)‐(−)‐l ‐sparteine acts as a bidentate ligand, with two Cl− ligands occupying the remaining coordination sites, producing a distorted tetrahedron. The N—Hg—N plane is twisted by 81.1 (2)° from the Cl—Hg—Cl plane. The mid‐point of the N⋯N line does not lie exactly on the Cl—Hg—Cl plane but is tilted towards one of the N atoms by 0.346 Å. Similarly, the mid‐point of the Cl⋯Cl line is tilted toward one of the Cl atoms by 0.163 Å. The packing structure shows that the complex is stabilized by two interatomic Cl⋯H contacts involving both Cl atoms and the methylene or methine H atoms of the (−)‐sparteine ligand. 相似文献
2.
Alexander S. Lyakhov Pavel N. Gaponik Michail M. Degtyarik Ludmila S. Ivashkevich 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m399-m401
In the title molecular complex, [Cu4Cl6O(2‐EtTz)4], where 2‐EtTz is 2‐ethyltetrazole (C3H6N4), the central O atom is located on the symmetry site and is tetrahedrally coordinated to four Cu atoms, with Cu—O distances of 1.8966 (4) Å. A very slight distortion of Cu4O from a regular tetrahedron is observed [two Cu—O—Cu angles are 108.76 (3)° and four others are 109.828 (13)°]. Each Cu atom is connected to three others via the Cl atoms, forming a slightly distorted Cl octahedron around the O atom, with O⋯Cl distances of 2.9265 (7) Å for Cl atoms lying on the twofold axis and 2.9441 (13) Å for those in general positions. The Cu atom has a distorted trigonal–bipyramidal environment, with three Cl atoms in the equatorial plane, and with the N atom of the 2‐ethyltetrazole ligand and the μ4‐O atom in axial positions. The Cu atom is displaced out of the equatorial plane by ca 0.91 Å towards the coordinated N atom of the 2‐ethyltetrazole ligand. 相似文献
3.
Kosuke Igawa Nobuto Yoshinari Takumi Konno 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(9):o332-o334
The asymmetric unit of the optically resolved title salt, C8H12N+·C4H5O4S−, contains a 1‐phenylethanaminium monocation and a thiomalate (3‐carboxy‐2‐sulfanylpropanoate) monoanion. The absolute configurations of the cation and the anion are determined to be S and R, respectively. In the crystal, cation–anion N—H...O hydrogen bonds, together with anion–anion O—H...O and S—H...O hydrogen bonds, construct a two‐dimensional supramolecular sheet parallel to the ab plane. The two‐dimensional sheet is linked with the upper and lower sheets through C—H...π interactions to stack along the c axis. 相似文献
4.
Ligia Gomes Carla Sousa Cristina Freire Baltazar de Castro 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1201-1203
In the title compound, [Ni(C19H20N2O4)(H2O)2], the Ni atom has a distorted octahedral coordination geometry in which the tetradentate Schiff base ligand acts as a cis‐N2O2 donor defining an equatorial plane, and water molecules occupy the axial positions. The two parts of the molecule are related by a mirror plane that passes through the Ni atom and is perpendicular to the equatorial plane. The angular distortions from normal octahedral geometry are in the range 1–6°, and the equatorial plane, defined by the donor atoms of the Schiff base, is almost square planar. The six‐membered ring comprising the Ni, the imine N and the propylene C atoms adopts a half‐chair conformation. The Ni—O [2.017 (2) Å] and Ni—N [2.071 (2) Å] distances are within the ranges expected for high‐spin octahedral nickel complexes. 相似文献
5.
Yong‐Min Lee Sung Kwon Kang Young‐Inn Kim Sung‐Nak Choi 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):m453-m454
In the title compound, dibromo[(6R,7S,8S,14S)‐1,3,4,7,7a,8,9,10,11,13,14,14a‐dodecahydro‐7,14‐methano‐2H,6H‐dipyrido[1,2‐a:1′,2′‐e][1,5]diazocine‐κ2N,N′]zinc(II), [ZnBr2(C15H26N2)], the chiral nitrogen‐chelating alkaloid (?)‐l ‐sparteine acts as a bidentate ligand, with two bromide ligands occupying the remaining coordination sites, producing a slightly distorted tetrahedral structure. The dihedral angle between the N—Zn—N and Br—Zn—Br planes is 82.4 (1)°. The distortion of the tetrahedral coordination is demonstrated by the fact that the midpoint of the N?N line does not lie in the Br—Zn—Br plane, but is tilted towards one of the N atoms by 0.164 Å. Similarly, the midpoint of the Br?Br line is tilted towards one of the Br atoms by 0.117 Å. 相似文献
6.
Jose R. Sabino Silvio Cunha Aparecido R. Souza Michelle P. Quintino 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(2):m94-m96
The title copper(II) complex, {[CuCl(C15H16N4O2)]Cl·0.61H2O}n, is a one‐dimensional zigzag coordination polymer structure extending along the (010) direction. The CuII atom has a square‐pyramidal geometry, where the basal plane is formed by two cis N atoms and one O atom from the ligand, and by a Cl atom. The apical position is occupied by a carbonyl O atom from a symmetry‐related molecule. In the crystal structure, there are O—H...Cl and N—H...Cl hydrogen bonds, which link parallel polymer chains along the c direction, so building a two‐dimensional structure via the interstitial Cl atoms. 相似文献
7.
Andrei S. Batsanov Judith A. K. Howard 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):e467-e468
The title compound, C17H19FN+·Cl?, has an ionic structure, and cations and anions are linked into infinite chains by Cl?H—N—H?Cl hydrogen bonds. The absolute configuration (S) was confirmed. 相似文献
8.
Alan Hazell Christine J. McKenzie Jimmi Nielsen 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):859-860
The title compound, C9H9NS3, crystallizes with two molecules in the asymmetric unit. In both molecules, the dithiane‐2‐thione rings adopt a symmetric half‐boat conformation with the C atom opposite the C—Sthione bond out of the plane. The pyridine ring is in an equatorial position and is twisted out of the plane of the half‐boat by 82.7 (2) and 84.5 (2)° in the two molecules, so that the N atom is trans to the axial C—H bond in both cases. 相似文献
9.
Edison Castro Henry Insuasty Braulio Insuasty Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(11):1064-1068
The title compound, C18H18N4OS2, was prepared by reaction of S,S‐diethyl 2‐thenoylimidodithiocarbonate with 5‐amino‐3‐(4‐methylphenyl)‐1H‐pyrazole using microwave irradiation under solvent‐free conditions. In the molecule, the thiophene unit is disordered over two sets of atomic sites, with occupancies of 0.814 (4) and 0.186 (4), and the bonded distances provide evidence for polarization in the acylthiourea fragment and for aromatic type delocalization in the pyrazole ring. An intramolecular N—H...O hydrogen bond is present, forming an S(6) motif, and molecules are linked by N—H...O and N—H...N hydrogen bonds to form a ribbon in which centrosymmetric R22(4) rings, built from N—H...O hydrogen bonds and flanked by inversion‐related pairs of S(6) rings, alternate with centrosymmetric R22(6) rings built from N—H...N hydrogen bonds. 相似文献
10.
Bi‐Yun Su Jia‐Xiang Wang Xiang Liu Qian‐Ding Li 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(8):851-854
In the title compound, [Ni(C12H11N2)2], the NiII cation lies on an inversion centre and has a square‐planar coordination geometry. This transition metal complex is composed of two deprotonated N,N′‐bidentate 2‐[(phenylimino)ethyl]‐1H‐pyrrol‐1‐ide ligands around a central NiII cation, with the pyrrolide rings and imine groups lying trans to each other. The Ni—N bond lengths range from 1.894 (3) to 1.939 (2) Å and the bite angle is 83.13 (11)°. The Ni—N(pyrrolide) bond is substantially shorter than the Ni—N(imino) bond. The planes of the phenyl rings make a dihedral angle of 78.79 (9)° with respect to the central NiN4 plane. The molecules are linked into simple chains by an intermolecular C—H...π interaction involving a phenyl β‐C atom as donor. Intramolecular C—H...π interactions are also present. 相似文献
11.
Ayhan Elmali C. Tugrul Zeyrek YalcÛn Elerman Ingrid Svoboda 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1302-1304
The title compounds, {4,4′‐dibromo‐2,2′‐[1,3‐propanediylbis(nitrilomethylidyne‐N)]diphenolato‐O,O′}nickel(II), [Ni(C17H14Br2N2O2)], and {4,4′‐dichloro‐2,2′‐[1,3‐propanediylbis(nitrilomethylidyne‐N)]diphenolato‐O,O′}copper(II), [Cu(C17H14Cl2N2O2)], lie on crystallographic twofold axes. In both structures, the metal coordination sphere is a tetrahedrally distorted square plane formed by the four‐coordinate N2O2 donor set of the Schiff base imine–phenol ligands. In the Ni compound, the Ni—O and Ni—N distances are 1.908 (3) and 1.959 (4) Å, respectively, while in the Cu compound, the Cu—O and Cu—N distances are 1.907 (2) and 1.960 (2) Å, respectively. The two Schiff base moieties, which themselves are nearly planar, are inclined at an angle of 29.26 (7)° for the Ni compound and 29.26 (5)° for the Cu compound. 相似文献
12.
Alexander S. Lyakhov Pavel N. Gaponik Michail M. Degtyarik Ludmila S. Ivashkevich 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):m204-m206
In the polymeric title complex, [CuCl2(C3H6N4)2]n, there are two ligands in the asymmetric unit. The Cu atom adopts an elongated octahedral geometry, with two 2‐ethyltetrazole ligands [Cu—N = 2.0037 (16) and 2.0136 (16) Å] and two Cl atoms [Cu—Cl = 2.2595 (6) and 2.2796 (6) Å] in equatorial positions. A Cl atom and a symmetry‐related 2‐ethyltetrazole molecule [Cu—Cl = 2.8845 (8) Å and Cu—N = 2.851 (2) Å] lie in the axial positions of the octahedron. One of the two 2‐ethyltetrazole ligands of the asymmetric unit exhibits bidentate binding to two Cu atoms through two N atoms of the tetrazole ring, whereas the other ligand is coordinated in a monodentate fashion via one tetrazole N atom. The Cu‐atom octahedra form dimer entities by sharing edges with equatorial and axial Cl atoms. The dimers are linked together through the 2‐ethyltetrazole ligands to form one‐dimensional polymeric zigzag chains extending along the b axis. The chains are connected into infinite layers parallel to the (10) plane via the 2‐ethyltetrazole ligands. 相似文献
13.
Richeng Xuan Weixiao Hu Zhongyu Yang Rirong Xuan 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):m112-m114
In the crystals of the title compound, [CuCl2(C6H6ClN)2], the Cu atom lies on an inversion centre and is four‐coordinated by two pyridine N atoms and two Cl atoms in trans positions. The coordination geometry is square planar, with Cu—N and Cu—Cl distances of 1.986 (2) and 2.2536 (11) Å, respectively. The two pyridine rings are parallel, but twist from the CuN2Cl2 coordination plane by about 95° in the complex molecule. There are three kinds of intermolecular C—H⃛Cl hydrogen bonds in the crystals. Two of these types generate two‐dimensional molecular networks, viewed in the direction of the a axis, and the other connects adjacent molecular networks. 相似文献
14.
Mustapha Aitali Larbi El Firdoussi Abdellah Karim Alejandro F. Barrero Miguel Quirs 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1088-1089
The title compound, [(S)‐2‐(anilinomethyl)pyrrolidine‐N,N′]‐chloro(η6‐para‐cymene)ruthenium(II) chloride, [RuCl‐(C10H14)(C11H16N2)]Cl, has been synthesized by the reaction of [RuCl2(p‐cymene)]2 (p‐cymene is para‐isopropyltoluene) with (S)‐2‐(anilinomethyl)pyrrolidine in triethylamine/2‐propanol. The Ru atom is in a pseudo‐tetrahedral environment coordinated by a chloride ligand, the aromatic hydrocarbon is linked in a η6 manner and the amine is linked via its two N atoms. The chloride anion is involved in hydrogen bonding with the diamine moieties through N—H?Cl interactions, with N?Cl distances of 3.273 (4) and 3.352 (4) Å. 相似文献
15.
Andrzej Gzella Maria D. Rozwadowska 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):981-982
The absolute configuration of the title compound, alternatively called (+)‐(4,5‐dihydro‐2,5‐diphenyloxazol‐4‐yl)methanol, C16H15NO2, has been confirmed as 4S,5S. The hydroxymethyl group and phenyl ring at the asymmetric C atoms exhibit β and α orientations, respectively. The exocyclic C—C bonds at the asymmetric C atoms are mutually anticlinal (?ac). The hydroxyl group and the N atom of the oxazoline ring are involved in an intermolecular hydrogen bond leading to chains of molecules. 相似文献
16.
Souheila Ladraa Abdelmalek Bouraiou Sofiane Bouacida Thierry Roisnel Ali Belfaitah 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(9):o475-o478
In the structures of the two enantiopure diastereoisomers of the title compound, C20H18ClN3O, which crystallize in different space groups, the molecules are very similar as far as bond distances and angles are concerned, but more substantial differences are observed in some torsion angles. The crystal structures of both molecules can be described as zigzag layers along the c axis. The packing is stabilized by hydrogen‐bond interactions of N—H...O, C—H...Cl and C—H...π types for 2‐[(R)‐2‐chloro‐3‐quinolyl]‐2‐[(R)‐1‐(4‐methoxyphenyl)ethylamino]acetonitrile, and of N—H...N, C—H...O and C—H...π types for 2‐[(S)‐2‐chloro‐3‐quinolyl]‐2‐[(R)‐1‐(4‐methoxyphenyl)ethylamino]acetonitrile, resulting in the formation of two‐ and three‐dimensional networks. 相似文献
17.
Robert A. Burrow Janaina T. Facco Ernesto S. Lang David H. Farrar Alan J. Lough 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):m7-m9
The structure of the title compound, [PtCl2(C5H5N)(C2H6S)], consists of discrete molecules in which the Pt‐atom coordination is slightly distorted square planar. The Cl atoms are trans to each other, with a Cl—Pt—Cl angle of 176.60 (7)°. The pyridine ligand is rotated 64.5 (2)° from the Pt square plane and one of the Pt—Cl bonds essentially bisects the C—S—C angle of the dimethyl sulfide ligand. In the crystal structure, there are extensive weak C—H⋯Cl interactions, the shortest of which connects molecules into centrosymmetric dimers. A comparison of the structural trans influence on Pt—S and Pt—N distances for PtS(CH3)2 and Pt(pyridine) fragments, respectively, in square‐planar PtII complexes is presented. 相似文献
18.
Lutz Dahlenburg Frank W. Heinemann Dagmar Kramer Ralf Menzel 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(3):m144-m146
In the structure of the title compound, [Ir2Cl3H2(C36H28P2)2]BF4·2CH2Cl2, the bimetallic cation features a confacial bioctahedral structure that is held together by three bridging chloride ions and is very close to C2 symmetric. The hydrides are in a syn orientation (trans to the same halide bridge), and the chelating bis(phosphine) atropisomers display a racemic (R,R)/(S,S) configuration. Because of the high trans‐bond‐weakening influence of the hydride ligands, the Ir—Cl bonds trans to Ir—H [2.5262 (7) and 2.5365 (7) Å] are significantly longer than those opposite the Ir—P linkages [2.4287 (7)–2.4672 (8) Å]. The Ir—P distances vary between 2.2464 (9) and 2.2565 (8) Å. This study illustrates the usefulness of sterically demanding biaryl‐based P2 ligands in the synthesis of halide‐bridged Ir2 complexes, which are valuable precursors of versatile catalysts for homogeneous C=O hydrogenation. 相似文献
19.
Lara C. Spencer Ilia A. Guzei Stephen O. Ojwach James Darkwa 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m421-m423
The palladium(II) center in the title compound, trans‐[PdCl2(C5H2F6N2)2]·H2O, possesses a distorted square‐planar geometry. The NH groups are positioned on the same side of the PdN2Cl2 coordination plane. Four symmetry‐independent strong hydrogen bonds of three types (N—H⋯Cl, N—H⋯Cl and O—H⋯Cl) hold the structure together. 相似文献
20.
Daniel Vega Daniel Fernndez Javier A. Ellena 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1092-1094
The title compound, raloxifene hydrochloride, C28H28NO4S+·Cl?, belongs to the benzothiophene class of antiosteoporotic drugs. In the molecular cation, the 2‐phenol ring sustains a dihedral angle of 45.3 (1)° relative to the benzo[b]thiophene system. The benzo[b]thiophene and phenyl ring planes are twisted with respect to the carbonyl plane, with the smallest twist component occurring between the phenyl and carbonyl planes. The N atom bears the positive charge in the molecular cation and the piperidine ring adopts an almost perfect chair conformation. The Cl? anion is involved in the formation of N—H?Cl and O—H?Cl intermolecular hydrogen bonds, which lead to the formation of a layer of molecular cations. 相似文献