共查询到20条相似文献,搜索用时 62 毫秒
1.
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
2.
Dubravka Matkovi‐alogovi Jasminka Popovi Zora Popovi Igor Picek
eljka Soldin 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m39-m40
The title compound, [HgBr(C7H4NO4)(H2O)], was obtained by the reaction of an aqueous solution of mercury(II) bromide and pyridine‐2,6‐dicarboxylic acid (picolinic acid, dipicH2). The shortest bond distances to Hg are Hg—Br 2.412 (1) Å and Hg—N 2.208 (5) Å; the corresponding N—Hg—Br angle of 169.6 (1)° corresponds to a slightly distorted linear coordination. There are also four longer Hg—O interactions, three from dipicH? [2.425 (4) and 2.599 (4) Å within the asymmetric unit, and 2.837 (4) Å from a symmetry‐related molecule] and one from the bonded water molecule [2.634 (4) Å]. The effective coordination of Hg can thus be described as 2+4. The molecules are connected to form double‐layer chains parallel to the y axis by strong O—H?O hydrogen bonds between carboxylic acid groups of neighbouring molecules, and by weaker hydrogen bonds involving both H atoms of the water molecule and the O atoms of the carboxylic acid groups. 相似文献
3.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):o204-o208
The adduct 1,6‐diaminohexane–1,1,1‐tris(4‐hydroxyphenyl)ethane (1/2) is a salt {hexane‐1,6‐diyldiammonium–4‐[1,1‐bis(4‐hydroxyphenyl)ethyl]phenolate (1/2)}, C6H18N22+·2C20H17O3?, in which the cation lies across a centre of inversion in space group P. The anions are linked by two short O—H?O hydrogen bonds [H?O 1.74 and 1.76 Å, O?O 2.5702 (12) and 2.5855 (12) Å, and O—H?O 168 and 169°] into a chain containing two types of R(24) ring. Each cation is linked to four different anion chains by three N—H?O hydrogen bonds [H?O 1.76–2.06 Å, N?O 2.6749 (14)–2.9159 (14) Å and N—H?O 156–172°]. In the adduct 2,2′‐bipyridyl–1,1,1‐tris(4‐hydroxyphenyl)ethane (1/2), C10H8N2·2C20H18O3, the neutral diamine lies across a centre of inversion in space group P21/n. The tris(phenol) molecules are linked by two O—H?O hydrogen bonds [H?O both 1.90 Å, O?O 2.7303 (14) and 2.7415 (15) Å, and O—H?O 173 and 176°] into sheets built from R(38) rings. Pairs of tris(phenol) sheets are linked via the diamine by means of a single O—H?N hydrogen bond [H?N 1.97 Å, O?N 2.7833 (16) Å and O—H?N 163°]. 相似文献
4.
Allison J. Dobson Roger E. Gerkin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):1021-1023
The title compound, C16H10N2O6·2H2O, crystallized in the centrosymmetric triclinic space group P with one organic molecule and two water molecules as the asymmetric unit. Eight intermolecular hydrogen bonds have donor?acceptor distances in the range 2.602 (2)–3.289 (2) Å, with angles in the range 137 (2)–177 (2)°. These generate a three‐dimensional hydrogen‐bond network. There is a single intramolecular hydrogen bond. There are six significant intermolecular C—H?O interactions with H?O distances in the range 2.39–2.74 Å, and C—H?O angles in the range 131–157°. 相似文献
5.
Ayhan Elmali Yaln Elerman Ingrid Svoboda 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):485-486
The title compound, N‐(5‐chloro‐2‐oxidobenzylidene)‐2‐hydroxy‐5‐methylanilinium, C14H12ClNO2, is a tridentate Schiff base with almost planar molecules. Each molecule contains a strong intramolecular N—H?O hydrogen bond [2.576 (2) Å]. There is also an intermolecular O—H?O hydrogen bond [2.695 (2) Å] linking neighbouring molecules into infinite chains along the [101] direction. 相似文献
6.
Pongchan Thinapong Orapin Rangsiman Patoomratana Tuchinda Bamroong Munyoo Manat Pohmakotr Vichai Reutrakul 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):e309-e310
A new azaanthracene alkaloid, namely 9,10‐dimethoxy‐4‐methyl‐1,2‐dihydro‐1‐azaanthracen‐2‐one (kalasinamide), C16H15NO3, has been isolated from the stems of Polyalthia suberosa collected in the northeastern part of Thailand. Each of the aromatic rings in the molecule is planar within 0.021 (2) Å. Molecules are linked to form centrosymmetric dimers by N—H?O hydrogen bonds [N?O 2.941 (4) Å]. 相似文献
7.
Engin Kendi Süheyla
zbey Oya Bozda Rahmiye Ertan 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):457-458
In the title molecule, C15H11NO4S, the phenyl and benzene rings are quite planar, with maximum deviations from planarity of 0.009 (2) and 0.004 (1) Å, respectively. The γ‐pyrone ring deviates from planarity and makes a dihedral angle of 8.3 (3)° with the 2‐phenyl substituent. The sulfonamide group is involved in N—H?O hydrogen bonding. 相似文献
8.
Sabahat
zcan Engin Kendi Meral Tunbilek Hakan Gker 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):459-460
The title compound, C21H23ClN4O2·0.5H2O, contains two independent molecules in the asymmetric unit. In each molecule the piperazine ring adopts a chair conformation; the deviations of the piperazine N atoms from the best plane through the remaining four C atoms are ?0.678 (3) and 0.662 (3) Å in molecule A, and 0.687 (3) and ?0.700 (3) Å in molecule B. The molecules are linked by two hydrogen bonds of the O—H?N type involving the O atom of the water molecule of crystallization. 相似文献
9.
Eric Gagnon Kenneth E. Maly Thierry Maris James D. Wuest 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(1):o4-o6
The title compound (systematic name: benzene‐4,4′,4′′,4′′′,4′′′′,4′′′′′‐hexaylhexabenzonitrile dichloromethane disolvate), C48H24N6·2CH2Cl2, crystallizes as an inclusion compound during the slow diffusion of methanol into a solution of hexakis(4‐cyanophenyl)benzene in CH2Cl2. The hexakis(4‐cyanophenyl)benzene molecule lies on an axis of twofold rotation in the space group Pbcn. Weak C—H⋯N interactions between hexakis(4‐cyanophenyl)benzene molecules define an open network with space for including guests. The resulting structure is a new pseudopolymorph of hexakis(4‐cyanophenyl)benzene. The eight known pseudopolymorphs have few shared architectural features, in part because none of the intermolecular interactions that are present plays a dominant role or forces neighboring molecules to assume particular relative orientations. 相似文献
10.
Lidia Armelao Giovanni Depaoli Alessandro Dolmella 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e268-e268
In the crystal of the title compound, C10H12O2, there are two symmetry‐independent molecules, which are essentially superimposable. Each molecule exhibits an intramolecular O—H?O hydrogen bond, with O?O separations of 2.483 (4) and 2.468 (4) Å. 相似文献
11.
Vladimir Carranza Tllez Brenda Snchez Gaytn Sylvain Berns Enrique Gonzlez Vergara 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):o228-o230
The structure of pyridine‐2,6‐dicarboxylic acid, C7H5NO4, has been determined at 0.71 Å resolution. The molecule is located on a site with mirror symmetry. A one‐dimensional supramolecular structure is stabilized in the solid state through a strong symmetric double hydrogen bond, with H?O distances of 1.86 (3) Å and O—H?O angles of 167 (3) and 171 (5)°. This arrangement is similar but not identical to that reported for the isoelectronic isophthalic acid (benzene‐1,3‐dicarboxylic acid). 相似文献
12.
Oscar Donoso‐Tauda Carlos A. Escobar Ramiro Araya‐Maturana Andrs Vega 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):o631-o632
The molecule of the title compound, C19H20O2S, corresponds to a chiral sulfinyldienol with two stereogenic centres, viz. the C atom susbtituted by the hydroxy group and the sulfinyl S atom. The molecule displays a V‐shape in the solid state. The dihedral angle defined by the least‐squares planes of the aromatic rings is 72.9 (1)°. The packing pattern exhibits the following intermolecular hydrogen bonds: one O—H⋯O [H⋯O = 1.98 Å, O⋯O = 2.785 (4) Å and O—H⋯O = 166°] and two C—H⋯O [H⋯O = 2.58 and 2.60 Å, C⋯O = 3.527 (5) and 3.347 (5) Å, and C—H⋯O = 164 and 134°]. These define a chain along b. 相似文献
13.
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
14.
Bernardo Masci Martine Nierlich Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o86-o87
2,3,6,7‐Tetrahydroxy‐9,10‐dimethyl‐9,10‐dihydro‐9,10‐ethanoanthracene crystallizes with 1,4‐dioxane to give a bis‐solvate, C18H18O4·2C4H8O2. The bis(catechol) molecule is located on a twofold axis and the two aromatic rings form a dihedral angle of 130.61 (4)°. Hydrogen bonds are formed between the hydroxyl groups and either a neighbouring bis(catechol) molecule or the ether‐O atom of a dioxane molecule. 相似文献
15.
K. V. Arjuna Gowda M. K. Kokila Puttaraja M. V. Kulkarni N. C. Shivaprakash 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):e481-e482
The title molecule, C13H9ClFN, is substantially planar. The phenyl and 3‐chloro‐4‐fluorophenyl rings are on opposite sides of the C=N bond. There is an intermolecular C—H?F short contact with a C?F distance of 3.348 (2) Å and a C—H?F angle of 137.4 (1)°. The molecules are held in layers parallel to the bc plane. 相似文献
16.
Elizabeth M. Kikolski Hugh W. Thompson Roger A. Lalancette 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):o394-o396
The asymmetric unit of the title compound, C24H36O4, contains three molecules, all differing in their side‐chain conformations and all linked by hydrogen bonding confined entirely within a three‐molecule block. One connection is of the acid‐to‐ketone type [O⋯O = 2.7055 (19) Å and O—H⋯O = 180°] and the other involves carboxyl pairing [O⋯O = 2.6485 (18) and 2.6598 (18) Å, and O—H⋯O = 168 and 174°]. Numerous intermolecular C—H⋯O close contacts connect neighbouring molecules. 相似文献
17.
Qing‐Yan Liu Sheng‐Liang Zhong Yu‐Ling Wang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m395-m397
In the title compound, [In(C8H4O4)(OH)(H2O)]n, the coordination of the InIII ion is composed of six O atoms from three dianionic benzene‐1,2‐dicarboxylate ligands, two hydroxyl groups and one coordinated water molecule in a distorted octahedral geometry. The In3+ ions are linked by the hydroxyl groups to form zigzag In–OH–In chains, which are further bridged by the benzene‐1,2‐dicarboxylic acid ligands to generate a two‐dimensional layered structure featuring three types of rings (six‐, 14‐ and 20‐membered). Hydrogen bonds between the water molecule and a carboxylate O atom, and between the hydroxyl group and a carboxylate O atom, are observed within the layers. In the crystal packing, there are π–π stacking interactions between the benzene rings of adjacent layers, with a centroid‐to‐centroid distance of 3.668 (3) Å and a dihedral angle of 4.8 (2)°. 相似文献
18.
Muharrem Diner Namk
zdemir M. Emin Günay Bekir etinkaya Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):m373-m375
The title complex, [RhBr(C8H12)(C19H22N2O2)], has a distorted square‐planar geometry. There are two molecules, A and B, in the asymmetric unit. The Rh—C bond distance between the N‐heterocyclic ligand and the metal atom is 2.039 (2) Å in molecule A and 2.042 (2) Å in molecule B. The angle between the carbene heterocycle and the coordination plane is 87.56 (12)° in molecule A and 87.03 (11)° in molecule B. It is shown that the average Rh—C(COD) (COD is cyclooctadiene) distance is linearly dependent on the Rh—C(imidazolidine) distance in this type of compound. This can be ascribed to the steric hindrance produced by the packing. The crystal structure contains intramolecular C—H⋯O and intermolecular C—H⋯Br interactions. 相似文献
19.
Rudy L. Luck G. David Mendenhall 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):602-603
The title compound, C14H21NO, has two molecules in the asymmetric unit. Each molecule forms hydrogen‐bonded dimers about inversion centers via O—H?N hydrogen bonds between oxime groups. The N—O distances in the oxime groups are 1.4160 (15) and 1.4131 (14) Å. 相似文献
20.
Suchada Chantrapromma Anwar Usman Hoong‐Kun Fun Bo‐Long Poh Chatchanok Karalai 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):o675-o677
In the title adduct, 1,3,5,7‐tetraazatricyclo[3.3.1.13,7]decane–4‐nitrobenzene‐1,2‐diol–water (1/2/1), C6H12N4·2C6H5NO4·H2O, the hexamethylenetetramine molecule acts as an acceptor of intermolecular O—H?N hydrogen‐bonding interactions from the water molecule and the hydroxy groups of one of the two symmetry‐independent 4‐nitrocatechol molecules. The structure is built from molecular layers which are stabilized by three intermolecular O—H?O, two intermolecular O—H?N and four intermolecular C—H?O hydrogen bonds. The layers are further interconnected by one additional intermolecular O—H?N and two intermolecular C—H?O hydrogen bonds. 相似文献