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1.
Simon J. Garden Marilza B. Corrêa Angelo C. Pinto James L. Wardell John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o234-o238
In ethyl N‐[2‐(hydroxyacetyl)phenyl]carbamate, C11H13NO4, all of the non‐H atoms lie on a mirror plane in the space group Pnma; the molecules are linked into simple chains by a single C—H⋯O hydrogen bond. The molecules of ethyl N‐[2‐(hydroxyacetyl)‐4‐iodophenyl]carbamate, C11H12INO4, are linked into sheets by a combination of O—H⋯I and C—H⋯O hydrogen bonds and a dipolar I⋯O contact. Ethyl N‐[2‐(hydroxyacetyl)‐4‐methylphenyl]carbamate, C12H15NO4, crystallizes with Z′ = 2 in the space group P; pairs of molecules are weakly linked by an O—H⋯O hydrogen bond and these aggregates are linked into chains by two independent aromatic π–π stacking interactions. 相似文献
2.
Anna M. M. Meij Stefanus Otto Andreas Roodt 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):m352-m354
The crystal structure of the title compound, trans‐[Pd(NCS)2(C6H13N3P)2](NCS)2, is one of the few palladium(II) complexes containing two protonated water‐soluble 1,3,5‐triaza‐7‐phosphaadamantane (PTA) ligands reported to date. The compound displays a distorted square‐planar geometry, with the Pd atom on an inversion centre and with the S atoms of the thiocyanate counter‐ions occupying the axial positions above and below the equatorial plane described by the phosphine and thiocyanate ligands. Geometric parameters for the formal coordination polyhedron include a Pd—P distance of 2.2940 (8) Å, a Pd—S distance of 2.3509 (8) Å and a P—Pd—S angle of 89.45 (3)°. The effective cone angle for the PTA ligands was calculated as 114.5°. 相似文献
3.
M. Scott Goodman Margaret A. Goodman Andrey Y. Kovalevsky Alexander Y. Nazarenko Donald Pope 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m30-m32
The title copper(II) complex, [Cu(C22H18N6)2](ClO4)2·2C2H3N, comprises two neutral substituted tris(pyrazol‐1‐yl)methane ligands bonded to a central CuII ion, which is positioned on a crystallographic inversion center. Six Cu—N bonds are arranged in a distorted octahedral fashion. The unsubstituted pyrazole rings on each ligand are oriented trans with respect to each other, interdigitated with the two 3‐phenylpyrazole rings of the other ligand. 相似文献
4.
Pierre Thury Martine Nierlich Bernardo Masci 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o14-o15
The title compound, 2,2′‐(3‐oxapentane‐1,5‐diyldioxy)diphenol, crystallizes as a methanol solvate, C16H18O5·CH4O. The methanol molecule, roughly perpendicular to the mean plane of the polyether molecule, is hydrogen bonded to the two polyether OH groups and to the central ether O atom. Possible C—H?π intermolecular interactions are present. 相似文献
5.
Marian Koman Peter Szolcsnyi Tibor Gracza 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):e138-e138
The absolute configuration at the new stereogenic centre during the key step of the total synthesis was established byX‐ray analysis of the title compound, C7H15NO4+·Cl?. 相似文献
6.
Muharrem Diner Namk
zdemir brahim Ylmaz Alaaddin ukuroval Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o674-o676
In the title compound, C17H20N2O3, the cyclobutane ring is puckered, with a dihedral angle of 19.11 (15)°. The 1‐phenyl and 3‐[1‐hydroxyimino‐2‐(succinimido)ethyl] groups are in cis positions. The molecules are linked by O—H⋯O and C—H⋯π(benzene) interactions, forming a two‐dimensional network. 相似文献
7.
Fangfang Jian Fengli Bei Lude Lu Xujie Yang Xin Wang Ibrahim Abdul Razak S. Shanmuga Sundara Raj Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):e288-e289
In the title compound, [Cu(C5H10NO2S2)(C18H15P)2]·C18H15P, the Cu atom is in a distorted tetrahedral coordination, with two triphenylphosphine P atoms and two S atoms from an N,N‐bis(2‐hydroxyethyl)dithiocarbamate ligand occupying the vertices. The crystal structure is characterized by alternate layers of complex and triphenylphosphine molecules. 相似文献
8.
Fred B. Stocker Doyle Britton 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):798-800
Gold(I) cyanide forms complexes with imidazolidine‐2‐thione (etu) and dimethylthiourea (dmtu) with the formula [Au2(CN)2L2], i.e. the title complexes dicyano‐1κC,2κC‐bis(imidazolidine‐2‐thione)‐1κS,2κS‐digold(I)(Au—Au), [Au2(CN)2(C3H6N2S)2], and dicyano‐1κ2C‐bis(N,N′‐dimethylthiourea)‐2κ2S‐digold(I)(Au—Au), [Au2(CN)2(C3H8N2S)2]. In the etu complex, two approximately linear (etu)AuCN groups are held together by a weak homopolar Au—Au bond [3.117 (1) Å], with a torsion angle of 61 (3)° between the two groups. In the dmtu complex, an approximately linear Au(dmtu)2 group is bound to an approximately linear Au(CN)2 group by a weak heteropolar Au—Au bond [3.091 (1) Å], with a torsion angle of 83 (5)° between the two groups. 相似文献
9.
Yu‐Mei Zhang Yu‐Ping Zhang Bao‐Long Li Yong Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):m120-m122
The coordination geometry of the ZnII atom in the title complex, [Zn2(NCS)4(C6H8N6)2], is that of a distorted tetrahedron, in which the ZnII atom is coordinated by four N atoms from the triazole rings of two symmetry‐related 1,2‐bis(1,2,4‐triazol‐1‐yl)ethane ligands and two thiocyanate ligands. Two ZnII atoms are bridged by two organic ligands to form a dimer. The dimer lies about an inversion center. 相似文献
10.
Ahmet Karadag Ahmet Bulut Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m402-m404
The crystal structure of the title compound, [Ni(NCS)2(C4H12N2O)2], has two crystallographically independent half‐molecules in the asymmetric unit, with each Ni atom residing on a centre of symmetry. The two molecules exhibit similar coordination geometry but display differences with regard to other structural features. Each NiII centre is octahedrally coordinated by two mutually trans chelating hydroxyethylethylenediamine ligands and two mutually trans isothiocyanate ions. The two independent molecules form chains through different types of non‐covalent interactions. In the case of one of the molecules, only NCS and free OH groups participate in hydrogen bonding, while in the chain based on the second molecule, the NCS, NH, NH2 and free OH groups are involved in intermolecular hydrogen bonding. The two chains interact with one another through hydrogen bonding, forming planar sheets. The third packing direction is mediated only by van der Waals interactions. 相似文献
11.
Tomoyuki Mochida Shinya Suzuki Hiroshi Moriyama Hiroshi Terao Tadashi Sugawara 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1183-1184
The crystal structure of the title compound, (C16H36N)[Ni(C4N2S2)2], shows stacking of the dimerized anions, surrounded by columns of cations. 相似文献
12.
Jo C. Davison Mark R. St J. Foreman R. Alan Howie M. John Plater Janet M. S. Skakle 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):690-693
The title compound, [NiCl2(C26H24P2)], has arisen as a result of the unexpected reduction (hydrogenation) of the trans‐1,2‐bis(diphenylphosphino)ethene ligand. The hydrothermal reaction conditions have produced a third polymorphic form of the compound which has twofold symmetry, crystallizes in an enantiomer‐selective manner and contains an unexpectedly short C—C (ethane) bond. Contacts of the form C—H?Cl are present, one involving alkyl and the other aryl hydrogen, with C?Cl distances of 3.556 (4) and 3.664 (6) Å, respectively. 相似文献
13.
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
14.
Jun Hwan Kim Soo‐Gyun Roh Jong Hwa Jeong 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):e543-e544
The title compound, [Cu2(C14H23N5)2(CH3O)2](PF6)2, has a doubly methoxo‐bridged centrosymmetric copper dimer cation involving two tridentate bis(pyrazolyl)amine ligands. The geometry of each CuII atom is a distorted square pyramid with two N atoms of the pyrazole in bis[2‐(3,5‐dimethyl‐1‐pyrazolyl)ethyl]amine (bpea) and two μ2‐bridging O atoms of the methoxo ligands forming the basal plane, and the amine N atom occupying the axial position. In the bridging plane, the Cu—O bond lengths are 1.940 (4) and 1.942 (4) Å, and the bond angles for O—Cu—O and Cu—O—Cu are 76.1 (2) and 103.9 (2)°, respectively. The Cu?Cu distance is 3.058 (1) Å. The central four‐membered ring lies on an inversion centre. 相似文献
15.
John A. Joule Ryan M. Hellyer David S. Larsen Sally Brooker 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(6):o358-o360
The asymmetric unit of the title compound, C6H6N4, comprises one and a half molecules with a C2 axis through the second molecule. Each molecule consists of two planar five‐membered rings connected by a triazole–pyrrole N—N bond with the triazole ring close to being at right angles to the pyrrole ring. The molecules are linked by C—H...N hydrogen bonds and weaker offset face‐to‐face π–π interactions. 相似文献
16.
Bao‐Long Li Xia Zhu Jun‐Hui Zhou Yong Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m373-m374
In the crystal structure of the title complex, poly[[diazidomanganese(II)]‐di‐μ‐1,2‐bis(imidazol‐1‐yl)ethane‐κ4N3:N3′], [Mn(N3)2(C8H10N4)2]n or [Mn(N3)2(bim)2]n, where bim is 1,2‐bis(imidazol‐1‐yl)ethane, each MnII atom is six‐coordinated in a distorted octahedral coordination environment to four N atoms from four bim ligands and two N atoms from two azide ligands. The MnII atoms, which lie on inversion centres, are bridged by four bim ligands to form a two‐dimensional (4,4)‐network. The azide ligands are monodentate (terminal). 相似文献
17.
Juana E. Prez‐Vargas Francisco J. Martínez‐Martínez Itzia I. Padilla‐Martínez Herbert Hpfl Efrn V. García‐Bez 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):o517-o519
The title compound, C16H19NO5, crystallizes as a centrosymmetric dimer through strong O—H⋯O hydrogen‐bonding interactions between the hydroxyphenyl and morpholinocarbonyl groups. The morpholinocarbonyl group is almost perpendicular to the propenoate moiety. Electron delocalization in the N—C(=O) fragment leads to the formation of hydrogen‐bonded S(5) ring motifs through C—H⋯O interactions. 相似文献
18.
Yang Peng Yi‐Zhi Li Song‐Song Bao Li‐Min Zheng 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m302-m304
In the title compound, [Co(C2H8N2)3]2[Ru2(C2H4O7P2)2Cl2]Cl·3H2O, the building unit contains two crystallographically independent dinuclear [Ru2(hedp)2Cl2]5− anions, where hedp [viz. (1‐hydroxyethylidene)diphosphonate] serves as a bis‐chelating bridging ligand, two types of [Co(en)3]3+ cations, one uncoordinated Cl− anion and five water molecules of crystallization. The [Ru2(hedp)2Cl2]5− anions are connected to one another, forming one‐dimensional chains along the a axis. The [Co(en)3]3+ cations are located between these chains and lie across inversion centres. An extensive series of hydrogen bonds lead to the formation of a three‐dimensional supramolecular network structure, with channels generated along the [100] direction. The uncoordinated water molecules and Cl− anions reside in these channels. 相似文献
19.
Ilia A. Guzei Benjamin C. Gorske Helen E. Blackwell 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(5):o286-o288
The title compound, C10H8F5NO, crystallizes as a racemate with four symmetry‐independent molecules in the asymmetric unit. The four molecules form two hydrogen‐bonded pairs. Each pair is a building unit of an independent C(4) chain propagating parallel to the ab plane. 相似文献
20.
S. Shanmuga Sundara Raj Hoong‐Kun Fun Pu‐Su Zhao Fang‐Fang Jian Lu‐De Lu Xu‐Jie Yang Xin Wang 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):742-743
The crystal structure of the title compound, [Zn‐(C7H5O2)2(C5H6N2)2], is built of monomeric [Zn(2‐apy)2(OBz)2] molecules (apy is aminopyridine and OBz is benzoate). The Zn atom lies on a twofold symmetry axis and adopts a slightly distorted tetrahedral coordination. The Zn?O distances to the non‐coordinated O atoms are long at 2.872 (3) Å. Each non‐ligating carbonyl O atom of the benzoate anion accepts one intramolecular and one intermolecular hydrogen bond from the amino group. The molecules form a chain along the c axis through intermolecular N—H?O hydrogen bonds between the amino and carboxyl groups. 相似文献