共查询到20条相似文献,搜索用时 859 毫秒
1.
Jin‐Yan Zhao Xiang‐Bo Wang Guang‐You Zhang Wan‐Hui Wang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):o534-o536
In the title compound, C25H30NO+·Cl−, the molecules are linked by a combination of intermolecular N—H⋯Cl and O—H⋯Cl hydrogen bonds and intramolecular N—H⋯O hydrogen bonds. The absolute configuration of the new stereogenic centre (the C atom adjacent to the N atom on the phenol side) is determined to have an R configuration. 相似文献
2.
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
3.
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
4.
Hong‐Xi Li Yong Zang Mei‐Ling Cheng Jian‐Ping Lang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m74-m77
The Zn atom in dichloro[(3,5‐dimethyl‐1H‐pyrazol‐1‐yl)methane]zinc(II), [ZnCl2(C11H16N4)], (I), is tetrahedrally coordinated by two N atoms from one bis(3,5‐dimethylpyrazolyl)methane ligand and two terminal Cl atoms. The molecule has no crystallographic symmetry. One H atom of the CH2 group of the bis(3,5‐dimethylpyrazolyl)methane ligand interacts with a Cl atom of an adjacent molecule to yield intermolecular C—H⋯Cl contacts, thereby forming a one‐dimensional zigzag chain extending along the b axis. On the other hand, in di‐μ‐chloro‐bis{chloro[(3,5‐dimethyl‐1H‐pyrazol‐1‐yl)methane]cadmium(II)}, [Cd2Cl4(C11H16N4)2], (II), each of the two crystallographically equivalent Cd atoms is pentacoordinated by two N atoms from one bis(3,5‐dimethylpyrazolyl)methane ligand, and by one terminal and two bridging Cl− anions. The molecule has a crystallographic centre of symmetry located at the mid‐point of the Cd⋯Cd line. One H atom of the CH2 group of the bis(3,5‐dimethylpyrazolyl)methane ligand interacts with a Cl atom of an adjacent molecule to produce pairwise intermolecular C—H⋯Cl contacts, thereby affording chains of molecules running along the c axis. 相似文献
5.
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
6.
Sujittra Youngme Jaturong Phatchimkun Narongsak Chaichit 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m574-m576
In a new hydrogen‐bonded three‐dimensional complex, [CuCl(NO3)(C10H8N2)(H2O)], the Cu atom has an elongated tetragonal octahedral environment, with two 2,2′‐bipyridyl N atoms, one nitrate O atom and one Cl atom forming the equatorial plane, and a second O atom of the nitrate anion and a water molecule in the axial positions. The complex molecules are linked to form a three‐dimensional supramolecular array by hydrogen‐bonding interactions both between the water O atom and nitrate O atoms, and between the water O atom and the Cl atom of a neighboring molecule. 相似文献
7.
Nada Kouti Hulita Aleksandar Danilovski Darko Fili Marina Marinkovi Ernest Metrovi Miljenko Dumi 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):o648-o651
The structures of the three title isomers, namely 4‐(2‐methylanilino)pyridine‐3‐sulfonamide, (I), 4‐(3‐methylanilino)pyridine‐3‐sulfonamide, (II), and 4‐(4‐methylanilino)pyridine‐3‐sulfonamide, (III), all C12H13N3O2S, differ in their hydrogen‐bonding arrangements. In all three molecules, the conformation of the 4‐aminopyridine‐3‐sulfonamide moiety is conserved by an intramolecular N—H⋯O hydrogen bond and a C—H⋯O interaction. In the supramolecular structures of all three isomers, similar C(6) chains are formed via intermolecular N—H⋯N hydrogen bonds. N—H⋯O hydrogen bonds lead to C(4) chains in (I), and to R22(8) centrosymmetric dimers in (II) and (III). In each isomer, the overall effect of all hydrogen bonds is to form layer structures. 相似文献
8.
Onur ahin Orhan Büyükgüngr Selami amaz Nurhan Gümrüküolu Cihan Kantar 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o643-o646
The title compounds, C10H12N4, (I), and C9H10N4, (II), have been synthesized and characterized both spectroscopically and structurally. The dihedral angles between the triazole and benzene ring planes are 26.59 (9) and 42.34 (2)°, respectively. In (I), molecules are linked principally by N—H⋯N hydrogen bonds involving the amino NH2 group and a triazole N atom, forming R44(20) and R24(10) rings which link to give a three‐dimensional network of molecules. The hydrogen bonding is supported by two different C—H⋯π interactions from the tolyl ring to either a triazole ring or a tolyl ring in neighboring molecules. In (II), intermolecular hydrogen bonds and C—H⋯π interactions produce R34(15) and R44(21) rings. 相似文献
9.
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
10.
Yun He 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):m469-m471
In the title compound, [Ni(C15H8O7S)(H2O)4]·C3H7NO·H2O, the NiII cation is chelated by a 7‐hydroxy‐5‐oxidoflavone‐6‐sulfonate ligand through one oxide and one carbonyl O atom, and the sixfold coordination is completed by four aqua ligands. Individual molecules are linked into hydrogen‐bonded dimers by way of five pairs of O—H⋯O hydrogen bonds. These dimers, in turn, determine a three‐dimensional supramolecular arrangement through a variety of interdimeric interactions, such as O—H⋯O, C—H⋯O and π–π stacking. 相似文献
11.
Yao‐Cheng Shi Bei‐Bei Zhu Xiao‐Bi Jing 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):m559-m562
The molecules of N,N′‐bis(2‐pyridylmethyl)ferrocene‐1,1′‐diyldicarboxamide, [Fe(C12H11N2O)2], contain intramolecular N—H⋯N hydrogen bonds and are linked into sheets by three independent C—H⋯O hydrogen bonds. The molecules of the isomeric compound N,N′‐bis(3‐pyridylmethyl)ferrocene‐1,1′‐diyldicarboxamide lie across inversion centres, and the molecules are linked into sheets by a combination of N—H⋯N hydrogen bonds and π–π stacking interactions between pyridyl groups. 相似文献
12.
Li Wu Hui‐Min Liu Wen‐Tao Zhao Wen‐Qin Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):o435-o437
In the title compound, C28H30BrN3O4, the molecules are linked by C—H⋯Br and N—H⋯O hydrogen bonds into one‐dimensional chains, which are arranged into a three‐dimensional network through a combination of C—H⋯O hydrogen bonds and two kinds of π–π interactions between the benzene rings of the anthraquinone units. 相似文献
13.
Marek Dabrowski Sergiusz Lulinski Janusz Serwatowski Magdalena Szczerbinska 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):o702-o704
The structure of the title compound, 2‐CH3O‐C5H3N–3‐B(OH)2 or C6H8BNO3, comprises two crystallographically independent molecules. The molecules are linked to each other by intermolecular O—H⋯N and C—H⋯O bonds to produce an infinite chain, while a two‐dimensional structure is formed as a result of π–π interactions of planar molecules. 相似文献
14.
Onur ahin Orhan Büyükgüngr Dursun Ali Kse Birgül Zümreoglu‐Karan Hacali Necefoglu 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):m513-m515
The CoII ion in the title complex {[Co(C5H2N2O4)(H2O)3]·1.72H2O}n, has a distorted octahedral coordination geometry comprised of three water ligands, one deprotonated pyrimidine N atom and an adjacent carboxylate O atom of one orotate ligand. The sixth coordination site is occupied by an exocyclic O atom from a neighbouring orotate moiety, and through this interaction a helicoidal chain is formed. The molecules are linked by intramolecular Owater—H⋯O and intermolecular N—H⋯O and Owater—H⋯O hydrogen bonds, forming a three‐dimensional network. 相似文献
15.
Bernard Marciniak 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o252-o254
The asymmetric unit of the title compound, C10H8O2, contains two planar symmetry‐independent molecules linked by an O—H⋯O hydrogen bond. In the crystal structure, molecules are linked into infinite chains of rings, formed by a combination of O—H⋯O and C—H⋯O hydrogen bonds, and additionally reinforced by π–π stacking interactions. Adjacent chains are connected by weak C—H⋯π interactions. 相似文献
16.
Fang‐Jun Huo Cai‐Xia Yin Xiang‐Lin Jin Pin Yang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):o332-o335
The two title chromene compounds, 3,3a‐dihydrocyclopenta[b]chromen‐1(2H)‐one, C16H12O2, (I), and 2‐(2‐hydroxybenzylidene)‐3,3a‐dihydrocyclopenta[b]chromen‐1(2H)‐one, C19H14O3, (II), have been determined in the monoclinic space group P21/n. Compound (I) is mainly stabilized by C—H⋯π interactions. Compound (II) is linked into infinite one‐dimensional chains with a C(3) motif via intermolecular O—H⋯O hydrogen bonds. The intermolecular C—H⋯π and π–π interactions also play key roles in stabilizing the crystal packing. Two intramolecular C—H⋯O hydrogen bonds with S(5) motifs were detected in (II). 相似文献
17.
Yi‐Xun Zhang Shauntina H. Jackson Mohamed S. Rajab Frank R. Fronczek Steven F. Watkins 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(4):o219-o221
3β‐Hydroxy‐7‐drimen‐12,11‐olide hemihydrate, C15H22O3·0.5H2O, (I), has two sesquiterpene molecules and one water molecule in the asymmetric unit. The OH groups of both molecules and both H atoms of the water molecule are involved in near‐linear intermolecular hydrogen bonds, having O⋯O distances in the range 2.632 (3)–2.791 (2) Å. 3β‐Acetoxy‐7‐drimen‐12,11‐olide, C17H24O4, (II), has its ring system in very nearly the same conformation as the two molecules of (I). 相似文献
18.
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
19.
Vladimir N. Nesterov 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):o806-o809
In the title compound 3,5‐bis(4‐methoxybenzylidene)‐1‐methyl‐4‐piperidone, C22H23NO3, (I), the central heterocyclic ring adopts a flattened boat conformation, while in the related salt 3,5‐bis(4‐methoxybenzylidene)‐1‐methyl‐4‐oxopiperidinium chloride, C22H24NO3+·Cl−, (II), the ring exhibits a `sofa' conformation in which the N atom deviates from the planar fragment. The pendant benzene rings are twisted from the heterocyclic ring planes in both molecules in the same direction, the range of dihedral angles between the ring planes being 24.5 (2)–32.7 (2)°. The dominant packing motif in (I) involves centrosymmetric dimers bound by weak intermolecular C—H⋯O hydrogen bonds. In (II), cations and anions are linked by strong N—H⋯Cl hydrogen bonds, while weak C—H⋯O and C—H⋯Cl hydrogen bonds link the cations and anions into a three‐dimensional framework. 相似文献
20.
Si‐Jia Xue Qing‐Dong Wang Jing‐Zhi Li 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o666-o668
In the title compound, C15H15N5O3S, two parallel intermolecular N—H⋯S hydrogen bonds, forming an eight‐membered ring, link two molecules into a dimer unit; these dimer units linked into a chain of edge‐fused rings by weak C—H⋯O hydrogen bonds. 相似文献