共查询到20条相似文献,搜索用时 15 毫秒
1.
Anwar Usman Suchada Chantrapromma Hoong‐Kun Fun Bo‐Long Poh Chatchanok Karalai 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o48-o50
In the title complex, C6H12N4·C8H8O3, the hexamethylenetetramine molecule accepts a single intermolecular O—H?N hydrogen bond from the hydroxy group of the 4‐hydroxy‐3‐methoxybenzaldehyde moiety. The non‐centrosymmetric crystal structure is built from alternating molecular sheets of 4‐hydroxy‐3‐methoxybenzaldehyde and hexamethylenetetramine molecules, and is stabilized by intermolecular O—H?N, C—H?O and C—H?π interactions. 相似文献
2.
Suchada Chantrapromma Anwar Usman Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):m531-m533
In the title compound [systematic name: triaqua(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)(2‐nitrophenolato‐κO)barium(II)–aqua(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)‐ bis(2‐nitrophenolato‐κ2O,O′)barium(II)–2‐nitrophenolate (1/1/1)], [Ba(C12H24O6)(C6H4NO3)(H2O)3][Ba(C12H24O6)(C6H4NO3)2(H2O)](C6H4NO3), the two BaII atoms encapsulated by the 18‐crown‐6 rings have different coordinations. Although both BaII atoms are coordinated to the six O atoms of the crowns, in the neutral moiety, the BaII atom is coordinated to one terminal O atom from a water molecule, two phenolate O atoms and two nitro‐group O atoms, while in the cationic moiety, the BaII atom is coordinated to three terminal O atoms from water molecules and one phenolate O atom. Both the crowns are eclipsed and translated along the b direction. In the asymmetric unit, the three components are interconnected by four O—H?O interactions. The packing is stabilized by two intermolecular C—H?O interactions and by one O—H?O interaction. 相似文献
3.
Katharine F. Bowes George Ferguson Christopher Glidewell John N. Low Antonio Quesada 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):o551-o554
N,N′‐Dithiobisphthalimide crystallizes from nitrobenzene solution as a solvate, 2C16H8N2O4S2·C6H5NO2, having space group Pn. The bisphthalimide molecules are linked by C—H?O hydrogen bonds and by aromatic π–π‐stacking interactions, forming a framework enclosing continuous channels running along the [100] direction and accounting for ca 20% of the unit‐cell volume. The nitrobenzene molecules lie in these channels, ordered in a head‐to‐tail fashion and linked to the bisphthalimide framework by C—H?O and C—H?π(arene) hydrogen bonds. 相似文献
4.
Maria Gdaniec Igor Bensemann Tadeusz Pooski 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):o735-o738
The 1:1 complexes N,N′‐bis(2‐pyridyl)benzene‐1,4‐diamine–anilic acid (2,5‐dihydroxy‐1,4‐benzoquinone) (1/1), C16H14N4·C6H4O4, (I), and N,N′‐bis(2‐pyridyl)biphenyl‐4,4′‐diamine–anilic acid (1/1), C22H18N4·C6H4O4, (II), have been prepared and their solid‐state structures investigated. The component molecules of these complexes are connected via conventional N—H?O and O—H?N hydrogen bonds, leading to the formation of an infinite one‐dimensional network generated by the cyclic motif R(9). The anilic acid molecules in both crystal structures lie around inversion centres and the observed bond lengths are typical for the neutral molecule. Nevertheless, the pyridine C—N—C angles [120.9 (2) and 120.13 (17)° for complexes (I) and (II), respectively] point to a partial H‐atom transfer from anilic aicd to the bispyridylamine, and hence to H‐atom disorder in the OHN bridge. The bispyridylamine molecules of (I) and (II) also lie around inversion centres and exhibit disorder of their central phenyl rings over two positions. 相似文献
5.
Yoshiki Ohgo Saburo Neya Noriaki Funasaki Mikio Nakamura 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):694-695
The title complex, (diethyl 3,4,8,15,19,20‐hexamethyl‐21,22,23,24‐tetraazopentacyclo[16.2.1.12,5.17,11.114,17]tetracosa‐1(20),2(22),3,5,7,9,11,13(24),14,16,18‐undecaene‐9,14‐dicarboxylate‐κ4N)iodoiron(III) chloroform solvate, [Fe(C32H32N4O4)I]·CHCl3, shows an almost planar arrangement of the corrphycene moiety with a slightly distorted trapezoid pyramidal core; the FeIII atom is 0.416 (1) Å from the plane of the C20N4 system. The Fe—N distances are 2.049 (3), 2.044 (3), 2.079 (3) and 2.075 (3) Å. The solvated chloroform forms a C—H?O hydrogen bond [C?O 3.107 (10) Å] to an adjacent carbonyl O atom. This is the first X‐ray structure analysis of a corrphycenatoiron(III) derivative. 相似文献
6.
Ayhan Elmali Ebru Kavlakoglu YalcÛn Elerman Ingrid Svoboda 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1097-1099
The title compound, aquachloro{4,4′‐dibromo‐2,2′‐[o‐phenylenebis(nitrilomethylidyne)]diphenolato‐O,N,N′,O′}iron(III)–chloro{4,4′‐dibromo‐2,2′‐[o‐phenylenebis(nitrilomethyli‐dyne)]diphenolato‐O,N,N′,O′}iron(III)–dimethylformamide (1/1/1), [FeCl(C20H12Br2N2O2)][FeCl(C20H12Br2N2O2)(H2O)]·C3H7NO, contains one independent five‐coordinate [FeCl(C20H12Br2N2O2)] monomer, one six‐coordinate [FeCl(C20H12Br2N2O2)(H2O)] monomer and a non‐coordinating dimethylformamide solvent molecule in the asymmetric unit. In the five‐coordinate monomer, the Fe atom shows distorted square‐pyramidal geometry, with the N and O atoms of the ligand at the base and the Cl atom at the apex of the pyramid. In the six‐coordinate monomer, the Fe atom is in a distorted octahedral geometry and coordinated by the donor atoms of the tetrafunctional ligand in the horizontal plane, and the coordination sphere is completed by the O atom of the water molecule and the Cl atom at the axial positions. The title compound contains intermolecular O—H?O hydrogen bonds. Apart from these hydrogen bonds, there are also intermolecular C—H?Cl and C—H?O contacts. 相似文献
7.
Christopher Glidewell John N. Low James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1462-1464
In the title compound, 2‐(2‐nitrophenylthio)‐1,2‐benzothiazol‐3(2H)‐one 1,1‐dioxide, 2‐O2NC6H4S(C7H4NO3S) or C13H8N2O5S2, the planes of the saccharin and nitrophenylthiolate portions are almost orthogonal. The molecules are linked by C—H?O=S hydrogen bonds [C?O 3.308 (3) Å, H?O 2.44 Å and C—H?O 155°] into cyclic centrosymmetric R22(16) dimers, reinforced by aromatic π?π stacking interactions between the nitrated aryl rings. 相似文献
8.
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
9.
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
10.
Christopher Glidewell John N. Low Susan A. McWilliam Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o100-o102
Molecules of the title compound (systematic name: 2‐amino‐3‐bromo‐5‐nitrobenzonitrile), C7H4BrN3O2, are linked by N—H?N and N—H?O hydrogen bonds [H?N 2.19 Å, N?N 3.019 (4) Å and N—H?N 157°, and H?O 2.17 Å, N?O 2.854 (3) Å and N—H?O 134°] to form (10) sheets built from alternating R(12) and R(36) rings, both of which are centrosymmetric. 相似文献
11.
En Tang Zhao‐Ji Li Yu‐Mei Dai Yuan‐Gen Yao 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):m61-m63
The title compound, [CoII(C10H8O6)(C10H8N2)(H2O)2]n, was obtained by the hydrothermal reaction of CoSO4 with benzene‐1,4‐dioxydiacetate [systematic name: p‐phenylenebis(oxyacetate)] and 4,4′‐bipyridine (4,4′‐bpy). The Co atom lies at an inversion center and the benzene‐1,4‐dioxydiacetate and 4,4′‐bipyridine moieties lie about other inversion centers. The benzene‐1,4‐dioxydiacetate ligands bridge the octahedral CoII coordination centers, forming a one‐dimensional zigzag chain. The chains are further bridged by 4,4′‐bpy ligands, forming a novel two‐dimensional supramolecular architecture. Hydrogen‐bonding interactions between the coordinated water molecules and the carboxylate O atoms lead to the formation of a three‐dimensional network structure. 相似文献
12.
Paul G. Jene James A. Ibers 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):246-249
In the crystalline state, the centrosymmetric molecule 1,2,4,5‐tetrakis(cyanomethyl)benzene, C14H10N4, has one cyanomethyl group in the benzene plane and one cyanomethyl group rotated 67.2 (2)° out of the benzene plane. Molecules of methyl 3,4,5‐triacetoxybenzoate, C14H14O8, form chains with each molecule twisted 89.6 (1)° from the preceding molecule. In this orientation, a close C—H?O contact is formed, with an H?O distance of 2.34 Å. The structure of 2‐(N‐phthalimidomethyl)benzoic acid, C16H11NO4, reveals hydrogen‐bonded dimers linked by the carboxyl groups of adjacent molecules. The O4?O3 distance is 2.636 (2) Å and the O4—H?O3 angle is 171 (2)°. 相似文献
13.
Fangfang Jian Ying Wang Lude Lu Xujie Yang Xin Wang Suchada Chantrapromma Hoong‐Kun Fun Ibrahim Abdul Razak 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):714-716
The crystal structures of tris(2‐methylquinolin‐8‐olato‐N,O)iron(III), [Fe(C10H8NO)3], (I), and aquabis(2‐methylquinolin‐8‐olato‐N,O)copper(II), [Cu(C10H8NO)2(H2O)], (II), have been determined. Compound (I) has a distorted octahedral configuration, in which the central Fe atom is coordinated by three N atoms and three O atoms from three 2‐methylquinolin‐8‐olate ligands. The three Fe—O bond distances are in the range 1.934 (2)–1.947 (2) Å, while the three Fe—N bond distances range from 2.204 (2) to 2.405 (2) Å. In compound (II), the central CuII atom and H2O group lie on the crystallographic twofold axis and the coordination geometry of the CuII atom is close to trigonal bipyramidal, with the three O atoms in the basal plane and the two N atoms in apical positions. The Cu—N bond length is 2.018 (5) Å. The Cu—O bond length in the basal positions is 1.991 (4) Å, while the Cu—O bond length in the apical position is 2.273 (6) Å. There is an intermolecular OW—H?O hydrogen bond which links the molecules into a linear chain along the b axis. 相似文献
14.
Suchada Chantrapromma Anwar Usman Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):m534-m536
The molecule of the title compound {systematic name: di‐μ‐sulfido‐bis[diaqua(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)barium(II)] bis[1,2‐benzisothiazol‐3(2H)‐one 1,1‐dioxide]}, [Ba2S2(C12H24O6)2(H2O)4](C7H5NO3S)2, lies on an inversion centre. The BaII atom encapsulated by the 18‐crown‐6 ring is coordinated by the six O atoms of the crown, two water O atoms and two bridging S atoms. The four‐membered ring composed of the BaII atoms and the bridging S atoms makes a dihedral angle of 67.1 (1)° with the crown‐ether ring. The aromatic ring system of the saccharin moiety is essentially planar. The packing is built up from layers of the molecules and is stabilized by three intermolecular O—H?O hydrogen bonds. 相似文献
15.
Rafal Kruszynski Tadeusz J. Bartczak 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m439-m441
The title compound, [Sn4(CH3)8(C13H8Cl2NO2)2(C2H5O)2O2], is a centrosymmetric dimer, with three linearly fused four‐membered Sn—O—Sn—O rings. The coordination polyhedron of the Sn atom bonded to the carboxylate can be described as trigonal–bipyramidal distorted toward square‐pyramidal. That of the second Sn atom is similar, but the distortion towards square‐pyramidal geometry is greater. The Sn—O and Sn—C distances are 2.020 (2)–2.226 (2) and 2.096 (4)–2.114 (4) Å, respectively. The benzene rings of the 2‐[(2,3‐dichlorophenyl)amino]benzoate ligand subtend an angle of 50.49 (17)°; the conformation of the ligand is stabilized by intramolecular N—H⋯Cl and N—H⋯O hydrogen bonds. The structure is assembled viaπ–π stacking interactions to form chains parallel to [10]. 相似文献
16.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o1-o5
In the adduct 1,2‐bis(4‐pyridyl)ethane–1,1,1‐tris(4‐hydroxyphenyl)ethane (1/2), C12H12N2·2C20H18O3, the bipyridyl component lies across an inversion centre in P. The tris‐phenol molecules [systematic name: 4,4′,4′′‐(ethane‐1,1,1‐triyl)triphenol] are linked by O—H?O hydrogen bonds to form sheets built from R(38) rings, and symmetry‐related pairs of sheets are linked by the bipyridyl molecules via O—H?N hydrogen bonds to form open bilayers. Each bilayer is interwoven with two adjacent bilayers, forming a continuous three‐dimensional structure. In the adduct 1,2‐bis(4‐pyridyl)ethene–1,1,1‐tris(4‐hydroxyphenyl)ethane–methanol (1/1/1), C12H10N2·C20H18O3·CH4O, the molecules are linked by O—H?O and O—H?N hydrogen bonds into three interwoven three‐dimensional frameworks, generated by single spiral chains along [010] and [001] and a triple‐helical spiral along [100]. 相似文献
17.
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
18.
Chung‐Der Chen Andrew P. J. Brunskill Stan S. Hall Roger A. Lalancette Hugh W. Thompson 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1148-1151
α‐Oxobenzeneacetic (phenylglyoxylic) acid, C8H6O3, adopts a transoid dicarbonyl conformation in the solid state, with the carboxyl group rotated 44.4 (1)° from the nearly planar benzoyl moiety. The heterochiral acid‐to‐ketone catemers [O?O = 2.686 (3) and H?O = 1.78 (4) Å] have a second, longer, intermolecular O—H?O contact to a carboxyl sp3 O atom [O?O = 3.274 (2) and H?O = 2.72 (4) Å], with each flat ribbon‐like chain lying in the bc plane and extending in the c direction. In α‐oxo‐2,4,6‐trimethylbenzeneacetic (mesitylglyoxylic) acid, C11H12O3, the ketone is rotated 49.1 (7)° from planarity with the aryl ring and the carboxyl group is rotated a further 31.2 (7)° from the ketone plane. The solid consists of chiral conformers of a single handedness, aggregating in hydrogen‐bonding chains whose units are related by a 31 screw axis, producing hydrogen‐bonding helices that extend in the c direction. The hydrogen bonding is of the acid‐to‐acid type [O?O = 2.709 (6) and H?O = 1.87 (5) Å] and does not formally involve the ketone; however, the ketone O atom in the acceptor molecule has a close polar contact with the same donor carboxyl group [O?O = 3.005 (6) and H?O = 2.50 (5) Å]. This secondary hydrogen bond is probably a major factor in stabilizing the observed cisoid dicarbonyl conformation. Several intermolecular C—H?O close contacts were found for the latter compound. 相似文献
19.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):683-686
The title compound, [Ni2(C8H4O4)(C10H24N4)2(H2O)2](ClO4)2, contains two independent octahedral NiII centres with trans‐NiN4O2 chromophores. The bridging benzenedicarboxylate ligand is bonded to the two Ni atoms, each via one O atom of each carboxylate, while the other O atom participates in an intramolecular N—H?O hydrogen bond, forming an S(6) motif. The cations are linked to the perchlorate anions via O—H?O and N—H?O hydrogen bonds [O?O 2.904 (6) and 2.898 (6) Å; O—H?O 158 (6) and 165 (6)°; N?O 3.175 (7) and 3.116 (7) Å; N—H?O 168 and 166°] to form molecular ladders. These ladders are linked by further O—H?O and N—H?O hydrogen bonds [O?O 2.717 (6) and 2.730 (5) Å; O—H?O 170 (4) and 163 (6)°; N?O 3.373 (7) and 3.253 (7) Å; N—H?O 163 and 167°] to form a continuous three‐dimensional framework. The perchlorate anions both participate in three hydrogen bonds, and both are thus fully ordered. 相似文献
20.
Masood Parvez Govindaraji Senthil Veejendra K. Yadav 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):577-579
The stereoisomers of 7‐phenyl‐1‐oxa‐4‐thiaspiro[4.5]decan‐7‐ol, C14H18O2S, have the same stereochemistry at the C atom bearing an OH group, i.e. axial OH and equatorial phenyl groups. However, the acetal S and O atoms are axial and equatorial, respectively, in one isomer and reversed in the second. Furthermore, the crystals of one isomer are composed of hydrogen‐bonded molecules involving the hydroxyl H atom and the O atom of the five‐membered heterocyclic ring, with an O?O distance of 2.962 (3) Å, forming a polymeric chain along the b axis. The asymmetric unit of the other isomer is composed of two molecules, wherein hydroxyl H atoms and the O atoms of the five‐membered heterocyclic rings display intramolecular O—H?O hydrogen bonds with O?O separations of 2.820 (2) and 2.834 (2) Å. 相似文献