共查询到20条相似文献,搜索用时 31 毫秒
1.
Katharine F. Bowes Christopher Glidewell John N. Low Manuel Melguizo Antonio Quesada 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(1):o4-o8
Crystallization of 2‐amino‐4‐chloro‐6‐morpholinopyrimidine, C8H11ClN4O, (I), yields two polymorphs, both with space group P21/c, having Z′ = 1 (from diethyl ether solution) and Z′ = 2 (from dichloromethane solution), denoted (Ia) and (Ib), respectively. In polymorph (Ia), the molecules are linked by an N—H⋯O and an N—H⋯N hydrogen bond into sheets built from alternating R(8) and R(40) rings. In polymorph (Ib), one molecule acts as a triple acceptor of hydrogen bonds and the other acts as a single acceptor; one N—H⋯O and three N—H⋯N hydrogen bonds link the molecules in a complex chain containing two types of R(8) and one type of R(18) ring. 2‐Amino‐4‐chloro‐6‐piperidinopyrimidine, C9H13ClN4, (II), which is isomorphous with polymorph (Ib), also has Z′ = 2 in P21/c, and the molecules are linked by three N—H⋯N hydrogen bonds into a centrosymmetric four‐molecule aggregate containing three R(8) rings. 相似文献
2.
Robert T. Stibrany Harvey J. Schugar Joseph A. Potenza 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o354-o357
Two of the title compounds, namely (E)‐1,2‐bis(1‐methylbenzimidazol‐2‐yl)ethene, C18H16N4, (Ib), and (E)‐1,2‐bis(1‐ethylbenzimidazol‐2‐yl)ethene, C20H20N4, (Ic), consist of centrosymmetric trans‐bis(1‐alkylbenzimidazol‐2‐yl)ethene molecules, while 3‐ethyl‐2‐[(E)‐2‐(1‐ethylbenzimidazol‐2‐yl)ethenyl]benzimidazol‐1‐ium perchlorate, C20H21N4+·ClO4−, (II), contains the monoprotonated analogue of compound (Ic). In the three structures, the benzimidazole and benzimidazolium moieties are essentially planar; the geometric parameters for the ethene linkages and their bonds to the aromatic groups are consistent with double and single bonds, respectively, implying little, if any, conjugation of the central C=C bonds with the nitrogen‐containing rings. The C—N bond lengths in the N=C—N part of the benzimidazole groups differ and are consistent with localized imine C=N and amine C—N linkages in (Ib) and (Ic); in contrast, the corresponding distances in the benzimidazolium cation are equal in (II), consistent with electron delocalization resulting from protonation of the amine N atom. Crystals of (Ib) and (Ic) contain columns of parallel molecules, which are linked by edge‐over‐edge C—H⋯π overlap. The columns are linked to one another by C—H⋯π interactions and, in the case of (Ib), C—H⋯N hydrogen bonds. Crystals of (II) contain layers of monocations linked by π–π interactions and separated by both perchlorate anions and the protruding ethyl groups; the cations and anions are linked by N—H⋯O hydrogen bonds. 相似文献
3.
S. Thamotharan V. Parthasarathi Ranju Gupta D. P. Jindal Anthony Linden 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):o405-o407
The asymmetric unit of the title compound, C25H30FN3O·0.5CH3OH, contains four symmetry‐independent steroid and two methanol molecules. The conformations of the independent steroid molecules are very similar. Intermolecular O—H⋯O hydrogen bonds create two independent chains, each of which links two of the independent steroid molecules plus one methanol molecule via a co‐operative O—H⋯O—H⋯O—H pattern. Intermolecular C—H⋯O and C—H⋯F interactions are also observed. 相似文献
4.
Cem Cüneyt Ersanl idem Albayrak Mustafa Odabaolu Carsten Thne Ahmet Erdnmez 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o133-o135
The structure of the title compound, C18H20ClN3O5, displays the characteristic features of azobenzene derivatives. Intramolecular N—H⋯O, weak intramolecular C—H⋯O, and intermolecular O—H⋯O and C—H⋯O interactions influence the conformation of the molecules and the crystal packing. Intermolecular hydrogen bonds link the molecules into infinite chains, and the title compound adopts the keto–amine tautomeric form. The azobenzene moiety of the molecule has a trans configuration. The molecule is not planar, and the dihedral angle between the two phenyl rings is 35.6 (2)°. 相似文献
5.
Jerzy Cieplik Janusz Pluta Tadeusz Lis Iwona Bryndal 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(5):o259-o261
Two polymorphic forms of the title compound, C24H20Cl2N4, were obtained and characterized using X‐ray crystal structure analysis. Colourless crystals of polymorph (Ia) were obtained from the oily mother residue. Recrystallization of polymorph (Ia) from an acetone–methanol mixture resulted in pale‐yellow crystals of polymorph (Ib). The major feature distinguishing the two polymorphic forms is their interaction modes, and hence their packing arrangements. In the crystal structure of polymorph (Ia), there are N—H⋯N hydrogen bonds and also aromatic π–π stacking interactions between molecules. The molecules of polymorph (Ib) are linked by N—H⋯Cl hydrogen bonds only. 相似文献
6.
eljko K. Jaimovi Zoran D. Tomi Gerald Giester Vukadin M. Leovac 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):m381-m383
In the crystal structure of the title complex, [Co(C6H8N3S)3], the CoIII atom is octahedrally coordinated by three monodeprotonated bidentate 3,5‐dimethyl‐1H‐pyrazole‐1‐thiocarboxamide ligands with two thiocarboxamide N atoms in axial positions. The asymmetric unit contains two molecules (A and B) and these molecules are arranged in chains in an alternating fashion connected by N—H⋯S interactions. 相似文献
7.
R. Chitra Pascal Roussel R. R. Choudhury 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):o547-o549
The title complex, 2CH4N2S·C4H6O4, is a host–guest system. The asymmetric unit consists of one complete thiourea molecule and one‐half of a dimethyl oxalate molecule lying on an inversion centre. The host thiourea molecules are connected to form zigzag chains by N—H⋯S hydrogen bonds. The guest dimethyl oxalate molecules provide O‐atom acceptors for N—H⋯O hydrogen bonds, thus interconnecting the chains of thiourea molecules to form completely connected sheets. The reduction in temperature from 300 to 100 K leaves the structure unchanged and still isostructural with that previously determined for the analogous thiourea–diethyl oxalate (2/1) complex. It does, however, induce closer packing of the molecules, general shrinkage of the unit cell and shortening of the hydrogen bonds, these last two to the extent of 1–2%. 相似文献
8.
Yao‐Wen Wu Ru‐Ji Wang Yu‐Yang Jiang Hua Fu Yu‐Fen Zhao 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o178-o179
The molecules of the title compound, C11H14BrNO2, are assembled into a two‐dimensional network by a combination of hydrogen bonds and stacking interactions. The phenyl rings are stacked along the c direction by displaced π–π interactions, forming a lipophilic layer. The aliphatic amide residues are interconnected along [100] by O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds, forming hydrophilic layers. 相似文献
9.
Leji Latheef E. Manoj M. R. Prathapachandra Kurup 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(1):o16-o18
The title compound, C14H19N3OS, is in the thioketo form, with the thione S and hydrazine N atoms cis with respect to each other so that the S atom is involved in inter‐ and intramolecular hydrogen bonds simultaneously. Intermolecular C—H⋯S and C—H⋯O hydrogen bonds result in one‐dimensional polymeric chains of molecules along the a axis. A weak C—H⋯π ring interaction binds the polymeric chains together. 相似文献
10.
Vratislav Langer Miroslav Ko Dalma Gyepesov Juraj Kronek Jozef Lusto Mariana Sldkovi
ov 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(10):o602-o606
Crystal structures are reported for three isomeric compounds, namely 2‐(2‐hydroxyphenyl)‐2‐oxazoline, (I), 2‐(3‐hydroxyphenyl)‐2‐oxazoline, (II), and 2‐(4‐hydroxyphenyl)‐2‐oxazoline, (III), all C9H9NO2 [systematic names: 2‐(4,5‐dihydro‐1,3‐oxazol‐2‐yl)phenol, (I), 3‐(4,5‐dihydro‐1,3‐oxazol‐2‐yl)phenol, (II), and 4‐(4,5‐dihydro‐1,3‐oxazol‐2‐yl)phenol, (III)]. In these compounds, the deviation from coplanarity of the oxazoline and benzene rings is dependent on the position of the hydroxy group on the benzene ring. The coplanar arrangement in (I) is stabilized by a strong intramolecular O—H⋯N hydrogen bond. Surprisingly, the 2‐oxazoline ring in molecule B of (II) adopts a 3T4 (C2TC3) conformation, while the 2‐oxazoline ring in molecule A, as well as that in (I) and (III), is nearly planar, as expected. Tetramers of molecules of (II) are formed and they are bound together via weak C—H⋯N hydrogen bonds. In (III), strong intermolecular O—H⋯N hydrogen bonds and weak intramolecular C—H⋯O hydrogen bonds lead to the formation of an infinite chain of molecules perpendicular to the b direction. This paper also reports a theoretical investigation of hydrogen bonds, based on density functional theory (DFT) employing periodic boundary conditions. 相似文献
11.
Li‐Ping Lu Si‐Si Feng Hong‐Mei Zhang Miao‐Li Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):m283-m284
The crystal structure of the title compound, [Cu2(C12H7N2O)2]·H2O, shows that this dinuclear complex has shorter Cu—N, Cu—O and Cu—Cu distances within the coordination sphere than similar reported complexes. The complex molecule is located on a centre of symmetry and the water molecule is on a twofold axis of the space group C2/c. The discrete complex molecules are extended into a two‐dimensional supramolecular array viaπ–π stacking interactions, intermolecular Cu⋯Cu interactions and C—H⋯O hydrogen bonds. 相似文献
12.
Zhong‐Lu You 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m406-m408
The title complex, [Cu(C11H14BrN2O)(NCS)]n, is an interesting thiocyanate‐bridged polynuclear copper(II) compound, which crystallizes with two independent molecules in the asymmetric unit. Each CuII atom is five‐coordinate in a square‐pyramidal configuration, with one O and two N atoms of one Schiff base ligand and one terminal N atom of a bridging thiocyanate ligand defining the basal plane, and one terminal S atom of another bridging thiocyanate ligand occupying the apical position. The {4‐bromo‐2‐[2‐(dimethylamino)ethyliminomethyl]phenolato}copper(II) units are linked by the bridging thiocyanate ligands, forming polymeric chains running along the a axis. There are weak intermolecular C—H⋯O and C—H⋯S hydrogen bonds between the chains in the crystal structure. 相似文献
13.
Xue‐Li Zhang Sheng‐Run Zheng Yong‐Ru Liu Xiang‐Li Zheng Cheng‐Yong Su 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):o533-o536
The tris(1H‐benzimidazol‐2‐ylmethyl)amine (ntb) molecule crystallizes in different solvent systems, resulting in two kinds of adduct, namely the monohydrate, C24H21N7·H2O or ntb·H2O, (I), and the acetonitrile–methanol–water (1/0.5/1.5) solvate, C24H21N7·C2H3N·0.5CH4O·1.5H2O or ntb·1.5H2O·0.5MeOH·MeCN, (II). In both cases, ntb adopts a tripodal mode to form hydrogen bonds with a solvent water molecule via two N—H⋯O and one O—H⋯N hydrogen bond. In (I), the ntb·H2O adduct is further assembled into a two‐dimensional network by N—H⋯N and O—H⋯N hydrogen bonds, while in (II), a double‐stranded one‐dimensional chain structure is assembled via N—H⋯O and O—H⋯O hydrogen bonds, with the acetonitrile molecules located inside the cavities of the chain structure. 相似文献
14.
The structure of the title compound, fac‐[ReBr(C14H12N2O)(CO)3]·CH4O, consists of neutral mononuclear molecular units of distorted octahedral geometry, with the three carbonyl donors in a facial orientation. The remaining coordination sites are occupied by the Br atom, the pyridine N atom and the ketone O‐atom donor of the ligand. The molecules pack in stacks of antiparallel tapes, with a network of classical (O—H⋯Br) and non‐classical (C—H⋯O) hydrogen bonds between the methanol solvent molecule and the complex molecule. 相似文献
15.
Vasu K. A. Nirmala Deepak Chopra S. Mohan J. Saravanan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):o786-o788
The title compounds, both C23H21ClN2OS, are isomeric, with (I) and (II) being the N‐3‐methylphenyl and N‐2‐methylphenyl derivatives, respectively. The dihedral angle between the 4‐chlorophenyl group and the thiophene ring in (II) [38.1 (1)°] is larger than that in (I) [7.1 (1)°], indicating steric repulsion between the chlorophenyl and o‐toluidine groups in (II). In both compounds, an intramolecular N—H⋯N hydrogen bond forms a pseudo‐six‐membered ring, thus locking the molecular conformation. In the crystal structures, molecules are connected via N—H⋯O hydrogen bonds, forming chains along the b axis in (I) and along the c axis in (II). Intermolecular C—H⋯O/S and π–π interactions are also observed in (II), but not in (I). 相似文献
16.
Serkan Soylu Hasan Kocaokutgen Mahmut Gür Peter Lnnecke 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):o498-o500
The crystal structure of the title compound, C14H14N2O, determined at 293 K, shows that the molecule is approximately planar in the solid state and that the aromatic rings have a trans configuration with respect to the azo double bond, as found for other diazene derivatives. The packing can be described as a polymeric arrangement of molecules linked through O—H⋯N and C—H⋯O hydrogen bonds and close contacts. These intermolecular interactions result in the formation of infinite chains parallel to the b axis. 相似文献
17.
Carolina Gastone Jordi Puiggalí Merc Font‐Bardia Lourdes Urpí 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):o498-o500
Crystals of the title compound, C8H14ClNO3, belong to the space group Cc and are characterized by an asymmetric unit containing two molecules, both with a twisted conformation. The molecular packing is stabilized by N—H⋯O=C hydrogen bonds between the amide groups of molecules with the same conformation. In addition, hydrogen‐bonded cyclic carboxylic acid dimers are established between molecules with a different conformation. The ClCH2—CONH bond has a cis conformation in order to favour an intramolecular Cl⋯HN electrostatic interaction. Weak intra‐ and intermolecular CH2⋯O=C interactions are also present. 相似文献
18.
Jacek Zaleski Grzegorz Spaleniak Janusz B. Kyzio 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o627-o629
The geometries of the thiazole ring and the nitramino groups in N‐(3H‐thiazol‐2‐ylidene)nitramine, C3H3N3O2S, (I), and N‐methyl‐N‐(thiazol‐2‐yl)nitramine, C4H5N3O2S, (II), are very similar. The nitramine group in (II) is planar and twisted along the C—N bond with respect to the thiazole ring. In both structures, the asymmetric unit includes two practically equal molecules. In (I), the molecules are arranged in layers connected to each other by N—H⋯N and much weaker C—H⋯O hydrogen bonds. In the crystal structure of (II), the molecules are arranged in layers bound to each other by both weak C—H⋯O hydrogen bonds and S⋯O dipolar interactions. 相似文献
19.
Zhong‐Lu You Hai‐Liang Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):m397-m399
The title complex, [Cd2(C11H14N3O3)2(NCS)2(CH4O)2], is an interesting thiocyanate‐bridged dinuclear cadmium(II) compound. It is located on a crystallographic inversion center. The CdII atom is six‐coordinated in an octahedral configuration by one O and two N atoms of one Schiff base ligand and by the terminal N atom of a bridging thiocyanate ligand, defining the basal plane, and by the terminal S atom of another bridging thiocyanate ligand and by the O atom of a coordinated methanol molecule, occupying the axial positions. The molecules are linked through intermolecular O—H⋯O hydrogen bonds, forming chains running along the b axis. 相似文献
20.
Tadeusz Lis Youssif Ebead Artur Sikorski Karol Krzymiski Jerzy Baejowski 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):o85-o87
The title compounds, C15H13ClN2·H2O, (I), and C19H13NO, (II), form monoclinic crystals. Arranged in a `head‐to‐tail' manner, the molecules of the amine form (I) lie along the b axis in layers that are linked by a network of hydrogen bonds involving the endocyclic N atom, the H atom at the exocyclic N atom and all the atoms of the solvent water molecule. Molecules of (II), with the phenoxy group nearly perpendicular to the acridine moiety, are arranged in pairs related by a center of symmetry and stabilized via two C—H⋯N contacts; the latter are linked via a network of further C—H⋯N contacts and non‐specific dispersive interactions. 相似文献