共查询到20条相似文献,搜索用时 15 毫秒
1.
Bernardo Masci Stefano Levi Mortera Luca Seralessandri Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o107-o109
Two related compounds containing p‐tert‐butyl‐o‐methylene‐linked phenol or phenol‐derived subunits are described, namely 5,5′‐di‐tert‐butyl‐2,2′‐dihydroxy‐3,3′‐methylenedibenzaldehyde, C23H28O4, (I), and 6,6′‐di‐tert‐butyl‐8,8′‐methylenebis(spiro[4H‐1,3‐benzodioxin‐2,1′‐cyclohexane]), C35H48O4, (II). Both compounds adopt a `butterfly' shape, with the two phenol or phenol‐derived O atoms in distal positions. Phenol and aldehyde groups in (I) are involved in intramolecular hydrogen bonds and the two dioxin rings in (II) are in distorted half‐chair conformations. 相似文献
2.
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
3.
Ying Xu Hong‐Xi Li Wen‐Hua Zhang Yong Zhang Jian‐Ping Lang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m4-m6
In the title compound, [Cu2I2(C11H16N4)2], each of the two crystallographically equivalent Cu atoms is tetrahedrally coordinated by two N atoms from one 1,1′‐methylenebis(3,5‐dimethyl‐1H‐pyrazole) ligand and two bridging iodide anions. The molecule has a crystallographic center of symmetry located at the mid‐point of the Cu·Cu line. One H atom of the CH2 group of the 1,1′‐methylenebis(3,5‐dimethyl‐1H‐pyrazole) ligand interacts with an iodide ion in an adjacent molecule to afford pairwise intermolecular C—H·I contacts, thereby forming chains of molecules running along the [101] direction. 相似文献
4.
Bernardo Masci Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):o575-o579
Four derivatives of 2,6‐bis(hydroxymethyl)phenol, with various para substituents, have been investigated; these are 2,6‐bis(hydroxymethyl)‐4‐methylphenol, C9H12O3, (I), 2,6‐bis(hydroxymethyl)‐4‐methoxyphenol, C9H12O4, (II), 2,6‐bis(hydroxymethyl)‐4‐phenoxyphenol, C14H14O4, (III), and 2,6‐bis(hydroxymethyl)‐4‐[1‐(4‐methoxyphenyl)‐1‐methylethyl]phenol, C18H22O4, (IV). All four structures display hydrogen‐bonding networks resulting in sheets, with possible weak inter‐sheet π–π interactions in one case. In all the structures but one, the molecules form centrosymmetric dimeric subunits held together by two hydrogen bonds between the hydroxymethyl groups and, in two cases, by probable π–π interactions. 相似文献
5.
Dens Konya Christian Philouze Yves Gimbert Andrew E. Greene 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o108-o111
Three chiral electron‐deficient phosphine ligands, [(4R,15R)‐,3‐bis(trifluoromethanesulfonyl)perhydro‐1,3,2‐benzodiazaphosphol‐2‐yl]diethylamine, C12H20F6N3O4PS2, (IIIa), [(4R,5R)‐1,3‐bis(trifluoromethanesulfonyl)perhydro‐1,3,2‐benzodiazaphosphol‐2‐yl]dimethylamine, C10H16F6N3O4PS2, (IIIb), and bis[(4R,5R)‐1,3‐bis(trifluoromethanesulfonyl)perhydro‐1,3,2‐benzodiazaphosphol‐2‐yl]methylamine, (IV), as the chloroform solvate, C17H23F12N5O8P2S4·0.98CHCl3, have been prepared from (1R,2R)‐N,N′‐bis(trifluoromethanesulfonyl)‐1,2‐cyclohexanediamine and diethyl phosphoramidous dichloride, dimethyl phosphoramidous dichloride or methyl imidodiphosphorus tetrachloride. The π‐acceptor abilities of these new types of ligands have been evaluated by X‐ray determination of the P—N bond lengths; it has been found that the most promising ligand is the bis(phosphine) (IV). 相似文献
6.
Robert J. Hinkle Robert McDonald 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o117-o121
The crystal structures of [(Z)‐2‐methylbut‐1‐en‐1‐yl][4‐(trifluoromethyl)phenyl]iodonium trifluoromethanesulfonate, C12H13F3I+·CF3O3S?, (I), (3,5‐dichlorophenyl)[(Z)‐2‐methylbut‐1‐en‐1‐yl]iodonium trifluoromethanesulfonate, C11H12Cl2I+·CF3O3S?, (II), and bis{[3,5‐bis(trifluoromethyl)phenyl][(Z)‐2‐methylbut‐1‐en‐1‐yl]iodonium} bis(trifluoromethanesulfonate) dichloromethane solvate, 2C13H12F6I+·2CF3O3S?·CH2Cl2, (III), are described. Neither simple acyclic β,β‐dialkyl‐substituted alkenyl(aryl)idonium salts nor a series containing electron‐deficient aryl rings have been described prior to this work. Compounds (I)–(III) were found to have distorted square‐planar geometries, with each I atom interacting with two trifluoromethanesulfonate counter‐ions. 相似文献
7.
David J. Wiedenfeld Vladimir N. Nesterov Mark A. Minton David R. Glass 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):o700-o702
Bis(2,5‐dimethoxy‐4‐methylphenyl)methane, C19H24O4, (IIa), was obtained and characterized as a minor product from the reaction of toluhydroquinone dimethyl ether (1,4‐dimethoxy‐2‐methylbenzene) with N‐(hydroxymethyl)trifluoroacetamide. Similarly, bis(2,5‐dimethoxy‐3,4,6‐trimethylphenyl)methane, C23H32O4, (IIb), was prepared from the corresponding reaction of trimethylhydroquinone dimethyl ether (2,5‐dimethoxy‐1,3,4‐trimethylbenzene). The molecules of (IIa) and (IIb) each lie on a twofold axis passing through the methylene group. The dihedral angle between the planar phenyl rings is 73.4 (1)° in (IIa) and 77.9 (1)° in (IIb). The external bond angles around the bridging methylene group are 116.6 (2) and 117.3 (2)° for (IIa) and (IIb), respectively. In (IIa), the methoxy substituents lie in the plane of the ring and are conjugated with the aromatic system, whereas in (IIb), they are almost perpendicular to the phenyl ring and are positioned on opposite sides. 相似文献
8.
Christopher Glidewell John N. Low Susan A. McWilliam Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o97-o99
In 2‐trifluoromethyl‐4‐nitroaniline, C7H5F3N2O2, (I), the molecules lie across a mirror plane in space group Pnma. The molecules are linked by paired N—H?O hydrogen bonds to form a C(8)[R(6)] chain of rings, pairs of which are linked into a molecular ladder by a single C—H?O hydrogen bond. The isomeric 3‐trifluoromethyl‐4‐nitroaniline, (II), has Z′ = 2 in space group P21/c. Each molecule is linked to four others by N—H?O hydrogen bonds to form sheets built from alternating R(12) and R(32) rings. 相似文献
9.
Daniel E. Lynch Ian McClenaghan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o1-o5
The crystal structures of four trifluoromethylnitrobenzene analogues (CF3)C6H3(NO2)[C4H8N2]R (where C4H8N2 is piperazinyl and R is ethyl carboxylate, CO2C2H5, or phenyl, C6H5), have been determined, and their conformations and packing arrangements are compared. The four compounds are ethyl 4‐[4‐nitro‐2‐(trifluoromethyl)phenyl]piperazine‐1‐carboxylate, (I), and ethyl 4‐[2‐nitro‐4‐(trifluoromethyl)phenyl]piperazine‐1‐carboxylate, (II), both C14H16F3N3O4, and 1‐[4‐nitro‐2‐(trifluoromethyl)phenyl]‐4‐phenylpiperazine, (III), and 1‐[2‐nitro‐4‐(trifluoromethyl)phenyl]‐4‐phenylpiperazine, (IV), both C17H16F3N3O2. All molecules adopt a rod‐like conformation, while the asymmetric units of (II) and (IV) contain two unique molecules that pack as monodirectional pairs. All molecules pack with C—H⋯O/F close contacts to all but one of the O atoms and to five of the 18 F atoms. 相似文献
10.
Bernardo Masci Stefano Levi Mortera Maurizio Varrone Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):o649-o651
Two compounds containing 1,3‐benzodioxin groups are reported, namely (±)‐6‐tert‐butyl‐8‐hydroxymethyl‐2‐phenyl‐4H‐1,3‐benzodioxin, C19H22O3, (I), and 2,2,2′,2′,6,6′‐hexamethyl‐8,8′‐methylenebis(4H‐1,3‐benzodioxin), C23H28O4, (II).The hydroxy groups of neighbouring molecules in (I) are hydrogen bonded to each other, giving rise to double‐row chains. The molecule in (II) adopts a `butterfly' conformation, with the O atoms in distal positions. In both compounds, the dioxin rings are in distorted half‐chair conformations. 相似文献
11.
Anwar Usman Ibrahim Abdul Razak Suchada Chantrapromma Hoong‐Kun Fun Varughese Philip A. Sreekanth M. R. Prathapachandra Kurup 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):o652-o654
The title compound, C16H17N5S, is in the thione form and crystallizes with two independent molecules in the asymmetric unit. In both molecules, the pentamethyleneimine five‐membered ring adopts an envelope conformation, and in one of the molecules this ring shows positional disorder. The thione S and hydrazine N atoms are in the Z configuration with respect to the C—N bond. 相似文献
12.
Zun‐Ting Zhang Xin‐Li Cheng Yun He 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):m484-m487
In methylaminium 4′,7‐dihydroxyisoflavone‐3′‐sulfonate dihydrate, CH6N+·C15H9O7S−·2H2O, 11 hydrogen bonds exist between the methylaminium cations, the isoflavone‐3′‐sulfonate anions and the solvent water molecules. In hexaaquairon(II) bis(4′,7‐diethoxyisoflavone‐3′‐sulfonate) tetrahydrate, [Fe(H2O)6](C19H17O7S)2·4H2O, 12 hydrogen bonds exist between the centrosymmetric [Fe(H2O)6]2+ cation, the isoflavone‐3′‐sulfonate anions and the solvent water molecules. Additional π–π stacking interactions generate three‐dimensional supramolecular structures in both compounds. 相似文献
13.
M. Barboiu A. van der Lee 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):m366-m368
The structure of the supramolecular complex calcium–trifluoromethanesulfonate–1,3‐di‐4‐pyridylurea–methanol (1/2/2/4), Ca2+·2CF3SO3−·2C11H10N4O·4CH4O, is presented. The Ca2+ ion lies on an inversion centre and is octahedrally coordinated by four methanol molecules and two trifluoromethanesulfonate counter‐ions. The molecular packing is dominated by hydrogen‐bonded sheets in the (110) plane which contain R(32) rings; in these rings, significant π–π interactions are observed between inversion‐related 1,3‐di‐4‐pyridylurea molecules. 相似文献
14.
John Bacsa Hanhua Zhao Kim R. Dunbar 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m561-m564
Two new iron–oxo clusters, viz. di‐μ‐trifluoroacetato‐μ‐oxo‐bis[(2,2′‐bipyridine‐κ2N,N′)(trifluoroacetato‐κO)iron(III)], [Fe2O(CF3CO2)4(C10H8N2)2], and bis(2,2′‐bipyridine)di‐μ3‐oxo‐hexa‐μ‐trifluoroacetato‐bis(trifluoroacetato)tetrairon(III) trifluoroacetic acid solvate, [Fe4O2(CF3CO2)8(C10H8N2)2]·CF3CO2H, contain dinuclear and tetranuclear FeIII cores, respectively. The FeIII atoms are in distorted octahedral environments in both compounds and are linked by oxide and trifluoroacetate ions. The trifluoroacetate ions are either bridging (bidentate) or coordinated to the FeIII atoms via one O atom only. The fluorinated peripheries enhance the solubility of these compounds. Formal charges for all the Fe centers were assigned by summing valences of the chemical bonds to the FeIII atom. 相似文献
15.
Ramaiyer Venkatraman Paresh Chandra Ray Frank R. Fronczek 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o633-o635
Hexamethylenetetramine and rac‐trans‐1,2‐cyclohexanedicarboxylic acid crystallize in a 1:1 ratio as a neutral molecular adduct, C6H12N4·C8H12O4. Two dicarboxylic acid molecules and two tetramine molecules form a hydrogen‐bonded ring, in the shape of a rhombus, which lies on a crystallographic twofold axis bisecting the two diacid molecules. The O—H⋯N hydrogen bonds have lengths 2.6808 (19) and 2.6518 (19) Å, and, in each ring, both acid molecules have the same handedness. 相似文献
16.
Raphaël Frdrick Bernadette Norberg Franois Durant Frederic Ooms Johan Wouters 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o623-o626
The structures of three compounds, namely 7‐methoxy‐2‐[3‐(trifluoromethyl)phenyl]‐9H‐indeno[1,2‐c]pyridazin‐9‐one, C19H11F3N2O2, (Id), 6‐methoxy‐2‐[3‐(trifluoromethyl)phenyl]‐9H‐indeno[1,2‐c]pyridazin‐9‐one, C19H11F3N2O2, (IId), and 2‐methyl‐6‐(4,4,4‐trifluorobutoxy)‐9H‐indeno[1,2‐c]pyridazin‐9‐one, C16H13F3N2O2, (IIf), which are potent reversible type‐B monoamine oxidase (MAO‐B) inhibitors, are presented and discussed. Compounds (Id) and (IId) crystallize in a nearly planar conformation. The crystal structures are stabilized by weak C—H⋯O hydrogen bonds. The packing is dominated by π–π stacking interactions between the heterocyclic central moieties of centrosymmetrically related molecules. In compound (IIf), the trifluoroethyl termination is almost perpendicular to the plane of the ring. 相似文献
17.
John Nicolson Low Justo Cobo Manuel Nogueras Adolfo Snchez Braulio Insuasty Harlen Torres 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o39-o41
2,2‐Dimethyl‐5‐[3‐(4‐methylphenyl)‐2‐propenylidene]‐1,3‐dioxane‐4,6‐dione, C16H16O4, crystallizes in the triclinic space group , with two molecules in the asymmetric unit. These molecules and a centrosymmetrically related pair, linked together by weak C—H?O hydrogen bonds, form a tetramer. 5‐[3‐(4‐Chlorophenyl)‐2‐propenylidene]‐2,2‐dimethyl‐1,3‐dioxane‐4,6‐dione, C15H13ClO4, also crystallizes in the triclinic space group , with one molecule in the asymmetric unit. Centrosymmetrically related molecules are linked together by weak C—H?O hydrogen bonds to form dimers which are further linked by yet another pair of centrosymmetrically related C—H?O hydrogen bonds to form a tube which runs parallel to the a axis. 相似文献
18.
Bernardo Masci Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):m584-m586
In the title compound, [UO2(C13H10O2)(C11H19N3)]·C3H6O, the U atom is in a pentagonal–bipyramidal environment, with the three N atoms of the 2,6‐bis[(dimethylamino)methyl]pyridine ligand and the two O atoms of the dianionic 2,2′‐methylenediphenolate ligand in the equatorial plane. The geometry is compared with that of previously reported 1:2 uranyl–diphenoxide complexes. 相似文献
19.
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
20.
Stephen Barlow Michael W. Day Seth R. Marder 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):303-304
The 1‐(2,3,4,5,1′,2′,3′,4′‐octamethylferrocen‐1‐yl)‐3‐(ruthenocenyl)allylium cation readily undergoes one‐electron oxidation to a dication in which an octamethylferrocenium moiety is bridged by a vinylene group to a [(η6‐fulvene)(η5‐cyclopentadienyl)ruthenium]+ moiety. In the title compound, 1‐(2,3,4,5,1′,2′,3′,4′‐octamethylferrocen‐1‐yl)‐3‐(ruthenocenylidene)prop‐1‐enium(2+) bis(tetrafluoroborate), [FeRu(C5H5)(C9H13)(C17H19)](BF4)2, the C—C bond lengths in the bridge (average for two independent molecules) are, starting from the ipso octamethylferrocenium carbon and ending at the exo carbon of the coordinated fulvene, 1.455 (6), 1.344 (3) and 1.449 (8) Å, indicating a localized electronic structure. 相似文献