共查询到20条相似文献,搜索用时 93 毫秒
1.
Yu‐Bing Lu Ping Yang Wen‐Na Huang Yan‐Na Yang Jian‐Zhong Wu 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(12):o596-o599
Both title compounds are derivatives of salicylic acid. 5‐Formylsalicylic acid (systematic name: 5‐formyl‐2‐hydroxybenzoic acid), C8H6O4, possesses three good hydrogen‐bond donors and/or acceptors coplanar with their attached benzene ring and abides very well by Etter's hydrogen‐bond rules. Intermolecular O—H...O and some weak C—H...O hydrogen bonds link the molecules into a planar sheet. Reaction of this acid and o‐phenylenediamine in refluxing ethanol produced in high yield the new zwitterionic compound 5‐(benzimidazolium‐2‐yl)salicylate [systematic name: 5‐(1H‐benzimidazol‐3‐ium‐2‐yl)‐2‐hydroxybenzoate], C14H10N2O3. Each imidazolium N—H group and its adjacent salicyl C—H group chelate one carboxylate O atom via hydrogen bonds, forming seven‐membered rings. As a result of steric hindrance, the planes of the molecules within these pairs of hydrogen‐bonded molecules are inclined to one another by ∼74°. There are also π–π stacking interactions between the parallel planes of the imidazole ring and the benzene ring of the salicyl component of the adjacent molecule on one side and the benzimidazolium component of the molecule on the other side. 相似文献
2.
Edwar Corts Rodrigo Abonía Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(2):o64-o66
In the title compound, C22H21BrN4O2, the imidazole and pyrazole rings are almost orthogonal to each other, but the ester unit is effectively coplanar with the adjacent aryl rings. The molecules are linked into a chain of edge‐fused centrosymmetric rings by a combination of N—H...O and C—H...π(arene) hydrogen bonds. 相似文献
3.
Krzysztof Ejsmont Agnieszka Kudelko Wojciech Zieliski 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(3):o141-o143
The racemic title compound, C17H23N3O3, isolated from the reaction of l ‐(−)‐tyrosine hydrazide with triethyl orthopropionate in the presence of a catalytic quantity of p‐toluenesulfonic acid (p‐TsOH), crystallizes with Z′ = 1 in a centrosymmetric monoclinic unit cell. The molecule contains two planar fragments, viz. the benzene and imidazole rings, linked by two C—C single bonds. The dihedral angle between the two planes is 59.54 (5)° and the molecule adopts a synclinal conformation. The HOMA (harmonic oscillator model of aromaticity) index, calculated for the benzene ring, demonstrates no substantial interaction between the two π‐electron delocalization regions in the molecule. In the crystal structure, there is an O—H...N hydrogen bond that links the molecules along the c axis. 相似文献
4.
Maciej Kubicki Pawe Wagner 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):o509-o511
The only specific interactions that influence the crystal packing of the title compound, C15H17ClN4O2, are weak C—H⋯N and C—H⋯Cl hydrogen bonds, even though there is a possibility of, for example, π–π stacking or halogen bonding. The dihedral angle between the mean planes of the imidazole and benzene rings is 59.82 (5)°. The length of the C—N bond connecting the imidazole and piperidine fragments is correlated with the degree of pyramidalization of the piperidine N atom. 相似文献
5.
Suchada Chantrapromma Hoong‐Kun Fun Ibrahim Abdul Razak Nisakorn Saewon Chatchanok Karalai Kan Chantrapromma 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):e598-e599
In the title compound, C19H20O8, the benzene rings are nearly perpendicular to each other [dihedral angle 80.2 (2)°]. The carboxy group is twisted out while both the methoxy and acetyl groups are almost coplanar with their attached benzene rings. The hydroxy group is involved in an intramolecular O—H?O hydrogen bond with the acetyl O atom and the compound is connected through an intermolecular O—H?O contact to form a dimer. The crystal structure is stabilized by intermolecular O—H?O hydrogen bonds. 相似文献
6.
Ligia R. Gomes John Nicolson Low Fernanda Borges Fernando Cagide 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(8):927-933
The title compound, C17H13NO4, crystallizes in two polymorphic forms, each with two molecules in the asymmetric unit and in the monoclinic space group P21/c. All of the molecules have intramolecular hydrogen bonds involving the amide group. The amide N atoms act as donors to the carbonyl group of the pyrone and also to the methoxy group of the benzene ring. The carbonyl O atom of the amide group acts as an acceptor of the β and β′ C atoms belonging to the aromatic rings. These intramolecular hydrogen bonds have a profound effect on the molecular conformation. In one polymorph, the molecules in the asymmetric unit are linked to form dimers by weak C—H...O interactions. In the other, the molecules in the asymmetric unit are linked by a single weak C—H...O hydrogen bond. Two of these units are linked to form centrosymmetric tetramers by a second weak C—H...O interaction. Further interactions of this type link the molecules into chains, so forming a three‐dimensional network. These interactions in both polymorphs are supplemented by π–π interactions between the chromone rings and between the chromone and methoxyphenyl rings. 相似文献
7.
F. L. Oliveira P. C. Huber W. P. Almeida J. R. Sabino R. Aparicio 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(2):119-122
The ZnII center in the dicationic complex of the title compound, [Zn(C10H7N3S)3](NO3)2·0.5C2H5OH·H2O, is in a distorted octahedral environment with imperfect noncrystallographic C3 symmetry. Each 2‐(1,3‐thiazol‐2‐yl)‐1H‐benzimidazole ligand coordinates in a bidentate manner, with the Zn—N(imidazole) bond lengths approximately 0.14 Å shorter than the Zn—N(thiazole) bond lengths. Charge‐assisted hydrogen bonds connect cations, anions and water molecules. A lattice void is occupied by an ethanol solvent molecule disordered about a crystallographic inversion center and π‐stacking is observed between one type of symmetry‐related benzene rings. 相似文献
8.
igdem Albayrak Mustafa Odabaolu Orhan Büyükgüngr Peter Lnnecke 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):o318-o320
The molecule of the former title compound, C13H9ClN2O2, (I), is nearly planar, with an intramolecular O⋯O hydrogen bond of 2.692 (2) Å. The latter title compound, C17H18ClN3O4, (II), exists in the keto–amine tautomeric form, with a strong intramolecular hydrogen bond of 2.640 (2) Å between the O and N atoms, the H atom being bonded to the N atom. The azobenzene moieties of both molecules have trans configurations, and the dihedral angle between the planes of the two aromatic rings is 4.1 (1)° in (I) and 9.9 (1)° in (II). The N—H⋯O hydrogen‐bonded rings are almost planar and coupled with the cyclohexadiene rings in (II). 相似文献
9.
Hailian Xiao Guixue Wang Fangfang Jian 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(9):o446-o448
In the title compound, 2C19H13N5·C8H6O4·4H2O, the terephthalic acid molecule lies on a crystallographic inversion centre and the H atoms of one water molecule exhibit disorder. The maximum deviation of any atom from the mean plane through the C and N atoms of the 2,6‐bis(benzimidazol‐2‐yl)pyridine molecule is only 0.161 (4) Å. In the crystal structure, the water molecules play an important role in linking the other molecules via hydrogen bonding. The structure forms a three‐dimensional framework via strong intermolecular hydrogen bonding. In addition, there are π–π stacking interactions between the imidazole, pyridine and benzene rings. 相似文献
10.
Tomasz Manszewski Dorota Prukaa Wiesaw Prukaa Maciej Kubicki 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(10):o493-o495
The crystal structures of the two title (E)‐stilbazolium halogenates, C20H17ClNO+·Cl− and C20H17BrNO+·Br−, are isomorphous, with an isostructurality index of 0.985. The azastyryl fragments are almost planar, with dihedral angles between the benzene and pyridine rings of ca 4.5°. The rings of the benzyl groups are, in turn, almost perpendicular to the azastyryl planes, with dihedral angles larger than 80°. The cations and anions are connected by O—H...X− (X = halogen) hydrogen bonds. The halide anions are `sandwiched' between the charged pyridinium rings of neighbouring molecules, and weak C—H...O hydrogen bonds and C—H...X and C—H...π interactions also contribute to the crystal structures. 相似文献
11.
Maciej Kubicki 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):o512-o514
The two almost perfectly planar imidazole rings in the title compound, C8H8N6O4·H2O, make a dihedral angle of 63.01 (10)°. The water molecule acts as a double donor and double acceptor of strong and linear hydrogen bonds, including an exceptionally short C—H⋯O bond. These bonds create a tight three‐dimensional structure and are probably responsible for the relatively high melting point of the compound. 相似文献
12.
Ashokkumar Subashini Kandasamy Ramamurthi Helen Stoeckli‐Evans 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(10):o408-o412
The 4‐chloro‐ [C14H11ClN2O2, (I)], 4‐bromo‐ [C14H10BrN2O2, (II)] and 4‐diethylamino‐ [C18H21N3O2, (III)] derivatives of benzylidene‐4‐hydroxybenzohydrazide, all crystallize in the same space group (P21/c), (I) and (II) also being isomorphous. In all three compounds, the conformation about the C=N bond is E. The molecules of (I) and (II) are relatively planar, with dihedral angles between the two benzene rings of 5.75 (12) and 9.81 (17)°, respectively. In (III), however, the same angle is 77.27 (9)°. In the crystal structures of (I) and (II), two‐dimensional slab‐like networks extending in the a and c directions are formed via N—H...O and O—H...O hydrogen bonds. The molecules stack head‐to‐tail viaπ–π interactions involving the aromatic rings [centroid–centroid distance = 3.7622 (14) Å in (I) and 3.8021 (19) Å in (II)]. In (III), undulating two‐dimensional networks extending in the b and c directions are formed via N—H...O and O—H...O hydrogen bonds. The molecules stack head‐to‐head viaπ–π interactions involving inversion‐related benzene rings [centroid–centroid distances = 3.6977 (12) and 3.8368 (11) Å]. 相似文献
13.
Yi‐Zhi Li Rong‐Bin Dai An‐Xin Wu Min Wang Qin‐Xi Li Gang‐Chun Sun Liu‐Fang Wang Chun‐Gu Xia 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):e455-e456
The title compound, C22H20O6, has a central double bond of length 1.3694 (12) Å. Two benzene rings, lying on different sides of the diethyl 2‐butenedioate main chain, are almost parallel to each other and nearly perpendicular to the main chain. In the unit cell, two symmetry‐equivalent molecules are in general positions and two molecules lie on inversion centres. 相似文献
14.
Fabio Zuluaga Carlos Grande Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(2):o77-o79
The molecules of the title compound, C34H24N2S4, lie across centres of inversion in the space group P21/n. The spacer unit linking the benzene rings and carbazole units is effectively planar, while the carbazole unit itself is slightly folded. Molecules are linked into sheets by a single C—H...π(arene) hydrogen bond and the hydrogen‐bonded sheets are themselves linked into a three‐dimensional framework structure by a single π–π stacking interaction. 相似文献
15.
Alberto Insuasty Braulio Insuasty Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(1):74-76
The molecules of the title compound, C17H21N3OS, are characterized by a wide C—C—C angle at the methine C atom linking the aryl and thiazolidine rings, associated with a short repulsive intramolecular S...H contact between atoms in these two rings. A single piperidine–arene C—H...π hydrogen bond links pairs of molecules into centrosymmetric dimers. 相似文献
16.
Nevzat Karaday ükriye akmak Mustafa Odabaolu Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):o303-o305
The title 4,4′‐disubstituted diphenyl‐1,3‐triazines, C14H15N3, (I), C12H9ClFN3, (II), and C13H12FN3, (III), each contain a triazene group (–N=N—NH–) having an extended conformation. The dihedral angles between the two benzene rings in (I), (II) and (III) are 4.3, 3.4 and 6.5°, respectively. The molecules are almost entirely planar, with maximum deviations from the mean planes of 0.1087 (2), −0.1072 (7) and 0.1401 (3) Å, respectively. In each compound, the molecules are linked by N—H⋯N hydrogen bonds to form chains and pack similarly in the crystal structures. 相似文献
17.
Christopher P. Walczak Matthew M. Yonkey Philip J. Squattrito Dillip K. Mohanty Kristin Kirschbaum 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(5):o248-o251
1,3‐Bis(ethylamino)‐2‐nitrobenzene, C10H15N3O2, (I), and 1,3‐bis(n‐octylamino)‐2‐nitrobenzene, C22H39N3O2, (II), are the first structurally characterized 1,3‐bis(n‐alkylamino)‐2‐nitrobenzenes. Both molecules are bisected though the nitro N atom and the 2‐C and 5‐C atoms of the ring by twofold rotation axes. Both display intramolecular N—H...O hydrogen bonds between the amine and nitro groups, but no intermolecular hydrogen bonding. The nearly planar molecules pack into flat layers ca 3.4 Å apart that interact by hydrophobic interactions involving the n‐alkyl groups rather than by π–π interactions between the rings. The intra‐ and intermolecular interactions in these molecules are of interest in understanding the physical properties of polymers made from them. Upon heating in the presence of anhydrous potassium carbonate in dimethylacetamide, (I) and (II) cyclize with formal loss of hydrogen peroxide to form substituted benzimidazoles. Thus, 4‐ethylamino‐2‐methyl‐1H‐benzimidazole, C10H13N3, (III), was obtained from (I) under these reaction conditions. Compound (III) contains two independent molecules with no imposed internal symmetry. The molecules are linked into chains via N—H...N hydrogen bonds involving the imidazole rings, while the ethylamino groups do not participate in any hydrogen bonding. This is the first reported structure of a benzimidazole derivative with 4‐amino and 2‐alkyl substituents. 相似文献
18.
trans‐Diaquabis(5‐carboxy‐1H‐imidazole‐4‐carboxylato‐κ2N3,O4)cobalt(II) 4,4′‐bipyridine solvate
Rong Cao Yu‐Ling Wang Wen‐Hua Bi 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(12):m609-m611
In the title compound, [Co(C5H3N2O4)2(H2O)2]·C10H8N2, the Co atom is trans‐coordinated by two pairs of N and O atoms from two monoanionic 4,5‐dicarboxyimidazole ligands, and by two O atoms from two coordinated water molecules, in a distorted octahedral geometry. The 4,4′‐bipyridine solvent molecule is not involved in coordination but is linked by an N—H⋯N hydrogen bond to the neutral [Co(C5H3N2O4)2(H2O)2] molecule. Both molecules are located on inversion centers. The crystal packing is stabilized by N—H⋯N and O—H⋯O hydrogen bonds, which produce a three‐dimensional hydrogen‐bonded network. Offset π–π stacking interactions between the pyridine rings of adjacent 4,4′‐bipyridine molecules were observed, with a face‐to‐face distance of 3.345 (1) Å. 相似文献
19.
Cheng‐Bing Ma Hui Chen Ming‐Qiang Hu Chang‐Neng Chen 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(2):m59-m61
In the title compound, [Mn(C5H2N2O4)(C12H9N3)2]·H2O, the MnII centre is surrounded by three bidentate chelating ligands, namely, one 6‐oxido‐2‐oxo‐1,2‐dihydropyrimidine‐5‐carboxylate (or uracil‐5‐carboxylate, Huca2−) ligand [Mn—O = 2.136 (2) and 2.156 (3) Å] and two 2‐(2‐pyridyl)‐1H‐benzimidazole (Hpybim) ligands [Mn—N = 2.213 (3)–2.331 (3) Å], and it displays a severely distorted octahedral geometry, with cis angles ranging from 73.05 (10) to 105.77 (10)°. Intermolecular N—H...O hydrogen bonds both between the Hpybim and the Huca2− ligands and between the Huca2− ligands link the molecules into infinite chains. The lattice water molecule acts as a hydrogen‐bond donor to form double O...H—O—H...O hydrogen bonds with the Huca2− O atoms, crosslinking the chains to afford an infinite two‐dimensional sheet; a third hydrogen bond (N—H...O) formed by the water molecule as a hydrogen‐bond acceptor and a Hpybim N atom further links these sheets to yield a three‐dimensional supramolecular framework. Possible partial π–π stacking interactions involving the Hpybim rings are also observed in the crystal structure. 相似文献
20.
Jorge Trilleras Jairo Quiroga Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(1):o11-o14
2‐Amino‐4‐chloro‐5‐formyl‐6‐[methyl(2‐methylphenyl)amino]pyrimidine, C13H13ClN4O, (I), and 2‐amino‐4‐chloro‐5‐formyl‐6‐[(2‐methoxyphenyl)methylamino]pyrimidine, C13H13ClN4O2, (II), are isostructural and essentially isomorphous. Although the pyrimidine rings in each compound are planar, the ring‐substituent atoms show significant displacements from this plane, and the bond distances provide evidence for polarization of the electronic structures. In each compound, a combination of N—H...N and N—H...O hydrogen bonds links the molecules into sheets built from centrosymmetric R22(8) and R66(32) rings. The significance of this study lies in its observation of the isostructural nature of (I) and (II), and in the comparison of their crystal and molecular structures with those of analogous compounds. 相似文献