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1.
Ibrahim Abdul Razak S. Shanmuga Sundara Raj Hoong‐Kun Fun Ye‐Xiang Tong Zhong‐Lin Lu Bei‐Sheng Kang 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):291-292
In the crystal structure of the title compound, [Zn(C4H13N3)2]2[Fe(CN)6]·4H2O, the asymmetric unit is formed by a [Zn(dien)2]2+ cation (dien = diethylenetriamine, NH2CH2CH2NHCH2CH2NH2), water molecules and half of the [Fe(CN)6]4? anion which is related by inversion symmetry through the Fe atom. The geometry around the Zn and Fe atoms is distorted octahedral and octahedral, respectively. Intramolecular O—H?O hydrogen bonds involving the water molecules, and intermolecular O—H?N hydrogen bonds involving the water molecules and the anions, result in an infinite chain. Intramolecular O—H?O and N—H?N, and intermolecular O—H?N, N—H?O and N—H?N hydrogen bonds form a three‐dimensional framework. 相似文献
2.
Suchada Chantrapromma Anwar Usman Hoong‐Kun Fun Bo‐Long Poh Chatchanok Karalai 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):o675-o677
In the title adduct, 1,3,5,7‐tetraazatricyclo[3.3.1.13,7]decane–4‐nitrobenzene‐1,2‐diol–water (1/2/1), C6H12N4·2C6H5NO4·H2O, the hexamethylenetetramine molecule acts as an acceptor of intermolecular O—H?N hydrogen‐bonding interactions from the water molecule and the hydroxy groups of one of the two symmetry‐independent 4‐nitrocatechol molecules. The structure is built from molecular layers which are stabilized by three intermolecular O—H?O, two intermolecular O—H?N and four intermolecular C—H?O hydrogen bonds. The layers are further interconnected by one additional intermolecular O—H?N and two intermolecular C—H?O hydrogen bonds. 相似文献
3.
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
4.
Dun‐Ru Zhu Yan Xu Yong‐Jiang Liu You Song Yong Zhang Xiao‐Zeng You 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):242-243
In the title compound, 4‐(4H‐1,2,4‐triazol‐4‐yliminomethyl)phenol hemihydrate, C9H8N4O·0.5H2O or (I)·0.5H2O, molecules of (I) are arranged as layers running along the b axis through intermolecular O—H?N and C—H?O hydrogen bonds. These layers are stabilized by hydrogen‐bonded water molecules to form three‐dimensional networks. 相似文献
5.
Kandasamy Chinnakali S. Shanmuga Sundara Raj Hoong‐Kun Fun Kamaraj Sriraghavan Vayalakkavoor T. Ramakrishnan 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):227-228
In the title compound, C17H21NO3S, the S atom is in a distorted tetrahedral geometry and the N atom exhibits sp2 character. The antiperiplanar conformation is observed for the N and hydroxyl‐O atoms and the torsion angle around the N—C linkage is ?136.3 (2)°. The molecules are linked by O—H?O intermolecular hydrogen bonds to form an infinite one‐dimensional chains along the c axis. 相似文献
6.
Anwar Usman Suchada Chantrapromma Hoong‐Kun Fun Bo‐Long Poh Chatchanok Karalai 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o136-o138
In the title 1/2/2 adduct, C4H12N22+·2C6H3N2O5?·2H2O, the dication lies on a crystallographic inversion centre and the asymmetric unit also has one anion and one water molecule in general positions. The 2,4‐dinitrophenolate anions and the water molecules are linked by two O—H?O and two C—H?O hydrogen bonds to form molecular ribbons, which extend along the b direction. The piperazine dication acts as a donor for bifurcated N—H?O hydrogen bonds with the phenolate O atom and with the O atom of the o‐nitro group. Six symmetry‐related molecular ribbons are linked to a piperazine dication by N—H?O and C—H?O hydrogen bonds. 相似文献
7.
S. Shanmuga Sundara Raj Ibrahim Abdul Razak Hoong‐Kun Fun Shyamaprosad Goswami Reshmi Mukherjee Avijit Adak 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):e302-e303
In the title compound, C11H12BrN5O2, the rings in the pterin moiety are planar. The carbonyl O atom is in a synperiplanar conformation, while the C—N—C(=O)—C linkage is antiperiplanar. N—H?N and N—H?O intermolecular hydrogen bonds transform the molecules into infinite chains. 相似文献
8.
Chao Tu Dun‐Ru Zhu Yan Xu Xiao‐Kang Ke Zijian Guo 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1334-1335
The title compound, C11H8N2O, has two crystallographically independent molecules in the crystal. Each molecule is basically planar except for the O atom. The two N atoms in the molecule show different behaviour as hydrogen‐bonding acceptors. One of them is involved in intermolecular O—H?N hydrogen bonds which stabilize the crystal packing. 相似文献
9.
Suchada Chantrapromma Anwar Usman Hoong‐Kun Fun Bo‐Long Poh Chatchanok Karalai 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):o589-o590
In the title ternary complex, C10H9N2+·C7H3N2O6?·C7H4N2O6, the pyridinium cation adopts the role of the donor in an intermolecular N—H?O hydrogen‐bonding interaction with the carboxylate group of the 3,5‐dinitrobenzoate anion. The molecules of the ternary complex form molecular ribbons perpendicular to the b direction, which are stabilized by one N—H?O, one O—H?O and five C—H?O intermolecular hydrogen bonds. The ribbons are further interconnected by three intermolecular C—H?O hydrogen bonds into a three‐dimensional network. 相似文献
10.
John N. Low Debbie Cannon Antonio Quesada Antonio Marchal Manuel Melguizo Manuel Nogueras Adolfo Snchez Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):604-607
In the title compound, 2C10H15N5O4·0.5H2O, there are two independent molecules of the pyrimidinylisoleucine in general positions and a water molecule lying on a twofold rotation axis. The bond lengths within the organic moieties demonstrate significant polarization of the electronic structure. Each of the organic molecules participates in 12 intermolecular hydrogen bonds, of O—H?O and N—H?O types, while the water molecule acts as a double donor and as a double acceptor of O—H?O hydrogen bonds. The organic components are linked by the hydrogen bonds into a single three‐dimensional framework, reinforced by the water molecules. 相似文献
11.
Sheng‐Li Li Anwar Usman Ibrahim A. Razak Hoong‐Kun Fun Jie‐Ying Wu Yu‐Peng Tian Min‐Hua Jiang Zu‐Yao Chen 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):m181-m183
In the title compound, [Ni(CH5N3S)2(H2O)2](C4H3O4)2·2H2O, the Ni atom lies on a center of symmetry and is coordinated by N and S atoms from two thiosemicarbazide ligands and the O atoms of two water molecules in a distorted octahedral geometry. In the asymmetric unit, the three components are linked together by one O—H⋯O and two N—H⋯O hydrogen bonds. The packing is built from molecular ribbons parallel to the b direction, stabilized by intramolecular hydrogen bonds, and by one N—H⋯S and two N—H⋯O intermolecular hydrogen bonds. The ribbons are further connected into columns by N—H⋯O interactions and then into a three‐dimensional network by three O—H⋯O hydrogen bonds. 相似文献
12.
Xi‐Rui Zeng Ren‐Geng Xiong Yan Xu Yong‐Jiang Liu Xiao‐Zeng You 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):943-944
The title compound, [Zn(C7H8NO3S)2(H2O)4], has an octahedral coordination around the central Zn atom composed of two axial N atoms from the pyridine ligands and four equatorial O atoms of water molecules, forming a monomeric centrosymmetric complex. The two Zn—N bond distances are 2.102 (3) Å, while the four Zn—O bond distances range from 2.114 (2) to 2.167 (2) Å. Packing is determined by hydrogen bonds formed by the water molecules. The sulfonate group does not take part in coordination to the Zn atom. 相似文献
13.
Pawe Wagner Sabina Niemczyk‐Baltro Maciej Kubicki 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(2):o83-o84
In the title compound, C8H8N2OS, strong intramolecular N—H⋯O hydrogen bonds [N⋯O = 2.669 (3) and 2.618 (3) Å] form almost planar six‐membered rings and enforce the conformation of the molecule. Two kinds of intermolecular N—H⋯S hydrogen bonds [N⋯S = 3.309 (3)–3.456 (2) Å] between two symmetry‐independent molecules form consecutive dimers that expand in ribbons along the [100] direction. 相似文献
14.
Laura Scaccianoce Neil Feeder Simon J. Teat Elisabeth A. Marseglia Andrew C. Grimsdale Andrew B. Holmes 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1277-1279
Two polymorphs, α and γ, of the title compound, C22H20N2O2, have been characterized by means of single‐crystal synchrotron X‐ray diffraction. In the α form, the molecules pack in a herring‐bone fashion, linked via weak C—H?N intermolecular interactions (H?N 2.58 Å). In the γ form, the molecules are arranged in nearly planar sheets, which form a network held together by intermolecular hydrogen bonds of the type C—H?O (H?O 2.49 Å) and C—H?N (H?N 2.50 Å). The stacking distance between the sheets is 3.40 Å. 相似文献
15.
Shyamaprosad Goswami Reshmi Mukherjee Kumaresh Ghosh Ibrahim Abdul Razak S. Shanmuga Sundara Raj Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):716-717
In the title compound, N‐(6‐chloro‐4‐oxo‐3,4‐dihydropteridin‐2‐yl)‐2,2‐dimethylpropanamide, C11H12ClN5O2, the rings in the pterin moiety are planar. The amide carbonyl O atom is in syn‐periplanar conformation while the C—N—C—C propanamide linkage is antiperiplanar. The N—H?N and N—H?O intermolecular hydrogen bonds transform the molecules into infinite chains. 相似文献
16.
Liam McElroy Mark Nieuwenhuyzen Graham C. Saunders 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):678-679
The title molecule, [Mo{P(C6H5)2(C6H4F)}(HNC5H10)(CO)4] or [Mo(C18H14FP)(C5H11N)(CO)4], has irregular octahedral geometry about the Mo atom. The molecules form a complicated hydrogen‐bonded network comprising C—H?O, C—H?F and C—H?π hydrogen bonds and π–π interactions. The C—H?π and π–π interactions form chains containing C—H?π/π–π dimers linked via C—H?π interactions and the chains are linked into a three‐dimensional network via C—H?O and C—H?F hydrogen bonds. 相似文献
17.
Vasyl Kinzhybalo Jan Janczak 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):m105-m107
The crystals of the title compound, [Mg(C32H16N8)(H2O)]·2C3H9N, are built up from MgPc(H2O) [Pc is phthalocyaninate(2−)] and n‐propylamine molecules that interact via O—H⋯N hydrogen bonds. The MgPc(H2O) molecule is non‐planar. The central Mg atom is coordinated by the four equatorial isoindole N atoms of the Pc ring system and by the O atom of an axial water molecule. The Mg atom is displaced by 0.509 (1) Å from the N4 plane towards the water O atom. MgPc(H2O)·2(n‐propylamine) molecules related by the inversion centre are linked by N—H⋯O hydrogen bonds to form a dimeric aggregate. 相似文献
18.
Fabrizio Adani Enzo Montoneri Philip J. Squattrito 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):463-464
The title compound, C7H8FO6PS·H2O, contains both phosphonic and sulfonic acid functionalities. An extensive network of O—H?O hydrogen bonds is present in the crystal structure. The three acidic protons are associated with the phosphonate group. Two protons experience typical hydrogen‐bond contacts with the sulfonate‐O atoms, while the third has a longer covalent bond of 1.05 (3) Å to the phosphonate‐O atom and a short hydrogen‐bond contact of 1.38 (3) Å to the water O atom (all O—H?O angles are in the range 162–175°). The sulfonate group is positioned so that one S—O bond is nearly coplanar with the phenyl ring [torsion angle O—S—C—C ?8.6 (2)°]. The phosphonate group is oriented approximately perpendicular to the ring [torsion angle P—C—C—C 99.2 (2)°] with one P—O bond anti to the benzyl C—C bond. The molecules pack in layers in the b–c plane with the water molecules in between adjacent pairs of inverted layers. 相似文献
19.
Ponraj Prabakaran Jebamony Justin Robert Packianathan Thomas Muthiah Gabriele Bocelli Lara Righi 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):459-461
In the title cocrystal, trimethoprim maleate [2,4‐diamino‐5‐(3,4,5‐trimethoxybenzyl)pyrimidin‐1‐ium maleate], C14H19N4O3+·C4H3O4?, the trimethoprim molecule is protonated at N1. The carboxyl group of the maleate ion makes a specific double hydrogen bond of type N—H?O with the 2‐amino group and the protonated N1 atom of the trimethoprim cation which is similar to the carboxylate–trimethoprim cation interaction observed in the complex of dihydrofolate reductase with trimethoprim. The pyrimidine moieties of trimethoprim cations are centrosymmetrically paired through a pair of N—H?N hydrogen bonds involving the 4‐amino group and the pyridinium N3 atom of a symmetry‐related molecule. One of the O atoms at the maleate carboxylate group bridges the 2‐amino and 4‐amino groups on either side of the paired trimethoprim cations. The other O atom of the carboxylate group forms an intramolecular O—H?O hydrogen bond with the carboxyl group. These characteristic hydrogen bonds result in infinite two‐dimensional aggregation of rings into a supramolecular ladder, which is further crosslinked through weak C—H?O interactions with methoxy groups of neighbouring trimethoprim molecules to form a layered structure. 相似文献
20.
Baak Koar Orhan Büyükgüngr idem Albayrak Mustafa Odabaolu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):o458-o460
The title compounds, both C13H11NO3, exist as the keto–amine tautomers, and the formal hydroxyl H atoms, which display strong intramolecular hydrogen bonds, are located on the N atoms. This is a verification of the preference for the keto–amine tautomeric form in the solid state. The 2‐hydroxy isomer has two independent molecules, with the molecules linked by intramolecular N—H⋯O and O—H⋯O and intermolecular O—H⋯O hydrogen bonds into three‐dimensional networks. 相似文献