共查询到20条相似文献,搜索用时 31 毫秒
1.
Sankar Prasad Dey Dilip Kumar Dey Asok Kumar Mallik Lutz Dahlenburg 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):o321-o322
The title compound, 2‐hydroxyphenyl 5‐(pyrrol‐2‐yl)‐3H‐pyrrolizin‐6‐yl ketone, C18H14N2O2, was isolated from the base‐catalyzed 1:2 condensation of 2‐hydroxyacetophenone with pyrrole‐2‐carbaldehyde. The pyrrole N—H and hydroxybenzoyl O—H groups are hydrogen bonded to the benzoyl O atom. The allylic C=C double bond of the 3H‐pyrrolizine system is located between ring positions 1 and 2, the C atom at position 3 (adjacent to the N atom) being single bonded. 相似文献
2.
Seung‐Chul Choi Jaejung Ko Sang Ook Kang Won‐Sik Han Ki‐Young Choi 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):m85-m87
The copper(II) ion in the syn–anti carboxylate‐bridged one‐dimensional zigzag chain title complex, {[Cu(C16H18N3O2)]ClO4}n, exhibits a distorted trigonal–bipyramidal environment. Two N atoms and one carboxylate O atom of the ligand form the basal plane, while the axial positions are filled by an N atom of the ligand and one O atom belonging to the carboxylate group of an adjacent molecule. The crystal packing is enhanced by C—H⋯O(perchlorate) hydrogen bonds. 相似文献
3.
Katharine F. Bowes Christopher Glidewell John N. Low 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):o409-o415
The structure of tetrameric triphenylsilanol, C18H16OSi, (I), has been re‐investigated at 120 (2) K. The hydroxyl H atoms were readily located and one of the arene rings is disordered over two closely positioned sets of sites. The molecules are linked into cyclic tetramers, having approximate (S4) symmetry, via O—H?O hydrogen bonds [H?O 1.81–1.85 Å, O?O 2.634 (3)–2.693 (3) Å and O—H?O 156–166°]. At ambient temperature, there are indications of multiple disorder of the phenyl‐ring sites. In bis(triphenylsilanol) dimethyl sulfoxide solvate, 2C18H16OSi·C2H6OS, (II), the dimethyl sulfoxide component is disordered across a twofold rotation axis in C2/c, and the molecular components are linked by a single O—H?O hydrogen bond [H?O 1.85 Å, O?O 2.732 (2) Å and O—H?O 172°] into three‐molecule aggregates, which are themselves linked into a single three‐dimensional framework by two C—H?π(arene) interactions. In tetrakis(triphenylsilanol) 1,4‐dioxan solvate, 4C18H16OSi·C4H8O2, (III), the 1,4‐dioxan component lies across an inversion centre in space group P and centrosymmetric five‐molecule aggregates are linked by paired C—H?π(arene) interactions to form molecular ladders. 相似文献
4.
S. Thinagar D. Velmurugan S. Shanmuga Sundara Raj Hoong‐Kun Fun S. C. Gupta H. Merazig S. Bouacida 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):o181-o183
The title compound 3,3′‐[o‐phenylenebis(methyleneoxy)]bis(6‐chloroflavone), C38H24Cl2O6, (I), crystallizes in the monoclinic space group C2/c, with the molecules lying across twofold rotation axes so that there is half a molecule in the asymmetric unit, while the other title compound, 3,3′‐propylenedioxybis[6‐chloro‐2‐(2‐furyl)‐4H‐1‐benzopyran‐4‐one], C29H18Cl2O8, (II), crystallizes in monoclinic space group P21/n with one molecule in the asymmetric unit. In both compounds, the benzopyran moiety is nearly planar, with dihedral angles between the two fused rings of 1.43 (8)° in (I), and 2.54 (7) and 3.00 (6)° with respect to the benzopyran moieties in the two halves of (II). The furan rings are twisted by 8.3 (1) and 8.4 (1)° in the two halves of (II). In both compounds, the molecular structure is stabilized by intramolecular C—H⃛O hydrogen bonds, while the crystal packing is stabilized by C—H⃛Cl and C—H⃛O intermolecular hydrogen bonds in (I) and (II), respectively. 相似文献
5.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m1-m4
In the adduct ferrocene‐1,1′‐diylbis(diphenylmethanol)–1,2‐bis(4‐pyridyl)ethene (1/1), [Fe(C18H15O)2]·C12H10N2, there is an intramolecular O—H?O hydrogen bond in the ferrocenediol component and a single O—H?N hydrogen bond linking the diol to the diamine, which is disordered over two sets of sites, so forming a finite monomeric adduct. In the adduct ferrocene‐1,1′‐diylbis(diphenylmethanol)–1,6‐diaminohexane (2/1), 2[Fe(C18H15O)2]·C6H16N2, the amine lies across a centre of inversion in space group P. There is an intramolecular O—H?O hydrogen bond in the ferrocenediol, and the molecular components are linked by O—H?N and N—H?O hydrogen bonds, one of each type, into a C(13)[R(12)] chain of rings. 相似文献
6.
Peter G. Jones Aleksander Zemanek Piotr Ku 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(1):o73-o76
In 2′,5′‐dimethyl‐p‐terphenyl, C20H18, which displays pseudosymmetry (the true space group is Pna21, but less satisfactory refinement can also be achieved in Pbcn), the molecules are linked into chains by two short C—H⋯π interactions to the centroid of the central ring. In 2′,5′‐bis(bromomethyl)‐p‐terphenyl, C20H16Br2, the polar CH2Br groups cause molecules to aggregate via C—H⋯Br and Br⋯Br interactions, forming a layer structure, in which the phenyl rings project outwards from the central, more polar, region. 相似文献
7.
Lei He Hui‐Min Liu Xiao‐Lan Luo Wen‐Qin Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):o104-o106
The title compound, 2‐{N‐[2‐(2‐hydroxybenzamido)ethylammonioethyl]aminocarbonyl}phenolate, C18H21N3O4, crystallizes in a zwitterionic form as a result of intermolecular proton transfer and possesses a negatively charged phenolate group and a protonated amino group. The 2‐hydroxybenzamide and 2‐(aminocarbonyl)phenolate moieties attached to the two ends of the C—C—N—C—C backbone adopt a cis conformation in relation to this backbone. All N‐ and O‐bound H atoms are involved in hydrogen‐bond formation; the zwitterions are first linked into head‐to‐tail dimers, which are further organized into a two‐dimensional network parallel to the crystallographic bc plane. 相似文献
8.
Muharrem Diner Namk
zdemir brahim Ylmaz Alaaddin ukuroval Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o674-o676
In the title compound, C17H20N2O3, the cyclobutane ring is puckered, with a dihedral angle of 19.11 (15)°. The 1‐phenyl and 3‐[1‐hydroxyimino‐2‐(succinimido)ethyl] groups are in cis positions. The molecules are linked by O—H⋯O and C—H⋯π(benzene) interactions, forming a two‐dimensional network. 相似文献
9.
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
10.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):914-917
In ferrocene‐1,1′‐diylbis(diphenylmethanol)–4,4′‐ethylenedipyridine (1/1), [Fe(C18H15O)2]·C12H12N2, there is an intramolecular O—H?O hydrogen bond in the ferrocenediol component and a single O—H?N hydrogen bond linking the two components into a finite monomeric adduct. Ferrocene‐1,1′‐diylbis(diphenylmethanol)–ethylenediamine (1/1), [Fe(C18H15O)2]·C2H8N2, crystallizes with Z′ = 2 in space group P, and there are two independent four‐component aggregates in the structure, both of which are centrosymmetric. In the first type of aggregate, the molecular components are linked by O—H?N and N—H?O hydrogen bonds, in which both diamine N atoms participate; in the second type of aggregate, the diamine component is disordered over two sets of sites, but only one N atom is involved in the hydrogen bonding. 相似文献
11.
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
12.
Jan W. Bats Tanja M. Frost A. Stephen K. Hashmi 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1081-1083
The title compounds, N‐[5‐(4‐chlorophenyl)furan‐2‐ylmethyl]‐4‐methyl‐N‐(prop‐2‐ynyl)benzenesulfonamide, (Ia), and N‐[5‐(2‐chlorophenyl)furan‐2‐ylmethyl]‐4‐methyl‐N‐(prop‐2‐ynyl)benzenesulfonamide, (Ib), both C21H18ClNO3S, have isomorphous crystal structures. The crystal packing is mainly determined by intermolecular C—H?O and C—H?π interactions. These interactions are very similar in (Ia) and (Ib). Additional intermolecular C—H?Cl interactions appear less important and are different in (Ia) and (Ib). The different positions of the Cl atoms result in small variations of the crystal packing of the two compounds. 相似文献
13.
Shusheng Zhang Zhongwei Wang Ming Li Kui Jiao Ibrahim Abdul Razak S. Shanmuga Sundara Raj Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):566-568
In both the title structures, O‐ethyl N‐(2,3,4,6‐tetra‐O‐acetyl‐β‐d ‐glucopyranosyl)thiocarbamate, C17H25NO10S, and O‐methyl N‐(2,3,4,6‐tetra‐O‐acetyl‐β‐d ‐glucopyranosyl)thiocarbamate, C16H23NO10S, the hexopyranosyl ring adopts the 4C1 conformation. All the ring substituents are in equatorial positions. The acetoxymethyl group is in a gauche–gauche conformation. The S atom is in a synperiplanar conformation, while the C—N—C—O linkage is antiperiplanar. N—H?O intermolecular hydrogen bonds link the molecules into infinite chains and these are connected by C—H?O interactions. 相似文献
14.
Yavuz Kysal amil Ik Gülay ahin Erhan Palaska 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):o542-o544
The structures of N‐ethyl‐3‐(4‐fluorophenyl)‐5‐(4‐methoxyphenyl)‐2‐pyrazoline‐1‐thiocarboxamide, C19H20FN3OS, (I), and 3‐(4‐fluorophenyl)‐N‐methyl‐5‐(4‐methylphenyl)‐2‐pyrazoline‐1‐thiocarboxamide, C18H18FN3S, (II), have similar geometric parameters. The methoxy/methyl‐substituted phenyl groups are almost perpendicular to the pyrazoline (pyraz) ring [interplanar angles of 89.29 (8) and 80.39 (10)° for (I) and (II), respectively], which is coplanar with the fluorophenyl ring [interplanar angles of 5.72 (9) and 10.48 (10)°]. The pyrazoline ring approximates an envelope conformation in both structures, with the two‐coordinate N atom involved in an intramolecular N—H⋯Npyraz interaction. In (I), N—H⋯O and C—H⋯S intermolecular hydrogen bonds are the primary interactions, whereas in (II), there are no intermolecular hydrogen bonds. 相似文献
15.
Thidarat Chotkhun Sujittra Youngme Narongsak Chaichit 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m59-m61
In the title dinuclear acetate‐bridged complex, [Cu2(C2H3O2)3(NCS)(C10H9N3)2], the two Cu atoms are five‐coordinated, with a basal plane consisting of two N atoms of a di‐2‐pyridylamine (dpyam) ligand and two O atoms of two different acetate ligands. The axial positions of these Cu atoms are coordinated to N and O atoms from thiocyanate and acetate molecules, respectively, leading to a distorted square‐pyramidal geometry with τ values of 0.30 and 0.22. Both CuII ions are linked by an acetate group in the equatorial–equatorial positions and have syn–anti bridging configurations. Hydrogen‐bond interactions between the amine H atom and the coordinated and uncoordinated O atoms of the acetate anions generate an infinite one‐dimensional chain. 相似文献
16.
Olexyj M. Huta Ihor O. Patsaj Antoni Konitz Joanna Meszko Jerzy Baejowski 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):o295-o297
The title compound, C15H11N2+·HN2O6?, crystallizes in the monoclinic space group C2/c with four molecules in the unit cell. The planar 9‐cyano‐10‐methylacridinium cations lie on crystallographic twofold axes and are arranged in layers, almost perpendicular to the ac plane, in such a way that neighbouring molecules are positioned in a `head‐to‐tail' manner. These cations and the hydrogen dinitrate anions are linked through C—H?O interactions involving four of the six O atoms of the anion and the H atoms attached to the C atoms of the acridine moiety in ring positions 2 and 4. The H atom of the hydrogen dinitrate anion appears to be located on the centre of inversion relating two of the four O atoms engaged in the above‐mentioned C—H?O interactions. In this way, columns of either anions or cations running along the c axis are held in place by the network of C—H?O interactions, forming a relatively compact crystal lattice. 相似文献
17.
18.
Tali Lavy Yana Sheynin Moshe Kapon Menahem Kaftory 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o50-o53
The crystal structures of three 1:2 inclusion compounds that consist of host molecule 2,5‐diphenylhydroquinone (C18H14O2) and the guest molecules 2‐pyridone (C5H5NO), 1,3‐diphenyl‐2‐propen‐1‐one (chalcone, C15H12O) and 1‐(4‐methoxyphenyl)‐3‐phenyl‐2‐propen‐1‐one (4′‐methoxychalcone, C16H14O2) were determined in order to study the ability of guest molecules in inclusion compounds to undergo photoreaction. All of the crystals were found to be photoresistant. The three inclusion compounds crystallize in triclinic space group . In each case, the host/guest ratio is 1:2, with the host molecules occupying crystallographic centers of symmetry and the guest molecules occupying general positions. The guest molecules in each of the inclusion compounds are linked to the host molecules by hydrogen bonds. In the inclusion compound where the guest molecule is pyridone, the host molecule is disordered so that the hydroxy groups are distributed between two different sites, with occupancies of 0.738 (3) and 0.262 (3). The pyridone molecules form dimers via N—H⋯O hydrogen bonds. 相似文献
19.
Clair Bilton Judith A. K. Howard N. N. Laxmi Madhavi Gautam R. Desiraju Frank H. Allen 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1356-1358
The title compounds, C8H10O2, (I), and C12H14O2, (II), occurred as by‐products in the controlled synthesis of a series of bis(gem‐alkynols), prepared as part of an extensive study of synthon formation in simple gem‐alkynol derivatives. The two 4‐(gem‐alkynol)‐1‐ones crystallize in space group P21/c, (I) with Z′ = 1 and (II) with Z′ = 2. Both structures are dominated by O—H?O=C hydrogen bonds, which form simple chains in the cyclohexane derivative, (I), and centrosymmetric dimers, of both symmetry‐independent molecules, in the cyclohexa‐2,5‐diene, (II). These strong synthons are further stabilized by C[triple‐bond]C—H?O=C, Cmethylene—H?O(H) and Cmethyl—H?O(H) interactions. The direct intermolecular interactions between donors and acceptors in the gem‐alkynol group, which characterize the bis(gem‐alkynol) analogues of (I) and (II), are not present in the ketone derivatives studied here. 相似文献
20.
Cheravakkattu G. Suresh Bindu Ravindran K. Narasimha Rao Tanmaya Pathak 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):1030-1032
The title compounds, the α and β anomers of methyl 2‐(N‐benzylamino)‐2,3‐dideoxy‐4,6‐O‐phenylmethylene‐3‐C‐phenylsulfonyl‐d ‐glucopyranoside, C27H29NO6S, belong to the class of deoxyamino‐sugars prepared by the addition of amines at C2. The endocyclic bond lengths of the pyranose ring in the α anomer are shorter than the corresponding bonds in the β anomer. The pyranose ring is in the chair form in the former, while it is in the boat form in the latter. These observed differences could be attributed to the C2 substitution of a bulky group. The phenylsulfonyl and benzylamino groups are in equatorial positions in the α anomer, while the benzylamino group is axial in the β anomer. 相似文献