共查询到20条相似文献,搜索用时 31 毫秒
1.
Fabrice Camus Bernadette Norberg Anne Legrand Benoit Rigo Franois Durant Johan Wouters 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):193-196
In the course of a study on pyrrolidinones, the crystal structures of four compounds, namely, methyl N‐[(4‐methoxyphenyl)(3,4,5‐trimethoxyphenyl)methyl]pyroglutamate, C23H27NO7, methyl N‐[naphthyl‐(3,4,5‐trimethoxyphenyl)methyl]pyroglutamate diacetyl peroxide, C26H27NO6·‐0.5C4H6O4, 5‐(3,4,5‐trimethoxyphenyl)‐1,2,3,11b‐tetrahydro‐5H‐naphtho[1,8‐f,g]indolizin‐3‐one, C24H23NO4, and 5‐(3,4,5‐trimethoxyphenyl)‐1,2,3,5,12,12a‐hexahydronaphtho[1,2‐f]indolizine‐3,12‐dione, C25H23NO5, are presented, compared and discussed. 相似文献
2.
Seik Weng Ng S. Shanmuga Sundara Raj Hoong‐Kun Fun Ibrahim Abdul Razak James M. Hook 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):966-968
catena‐Poly[dicyclohexylammonium [tributyltin‐μ‐(4‐oxo‐4H‐pyran‐2,6‐dicarboxylato‐O2:O6)]], (C12H24N)[Sn(C7H2O6)(C4H9)3], consists of 4‐oxo‐4H‐pyran‐2,6‐dicarboxylato groups that axially link adjacent tributyltin units into a linear polyanionic chain. The ammonium counter‐ions surround the chain, and each cation forms a pair of hydrogen bonds to the double‐bond carbonyl O atoms of the same dianionic group. The chain propagates in a zigzag manner along the c axis of the monoclinic cell. In catena‐poly[methyl(phenyl)ammonium [tributyltin‐μ‐(pyridine‐2,6‐dicarboxylato‐O2:O6)]], (C7H10N)[Sn(C7H3NO4)(C4H9)3], the pyridine‐2,6‐dicarboxylato groups also link the tributyltin groups into a chain, but the hydrogen‐bonded chain propagates linearly on the ac face of the monoclinic cell. 相似文献
3.
Intermolecular stacking in pyrazolo[3,4‐d]pyrimidine‐based pentamethylene‐linked flexible molecules
Kamlakar Avasthi Sheikh M. Farooq Ashish K. Tewari Ashoke Sharon Prakas R. Maulik 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(1):o42-o45
The crystal structures of 1‐{5‐[4,6‐bis(methylsulfanyl)‐2H‐pyrazolo[3,4‐d]pyrimidin‐2‐yl]pentyl}‐6‐methylsulfanyl‐4‐(pyrrolidin‐1‐yl)‐1H‐pyrazolo[3,4‐d]pyrimidine, C22H29N9S3, and 6‐methylsulfanyl‐1‐{5‐[6‐methylsulfanyl‐4‐(pyrrolidin‐1‐yl)‐2H‐pyrazolo[3,4‐d]pyrimidin‐2‐yl]pentyl}‐4‐(pyrrolidin‐1‐yl)‐1H‐pyrazolo[3,4‐d]pyrimidine, C25H34N10S2, which differ in having either a pyrrolidine substituent or a methylsulfanyl group, show intermolecular stacking due to aromatic π–π interactions between the pyrazolo[3,4‐d]pyrimidine rings. 相似文献
4.
Michael Bolte Alexander Degen Ernst Egert 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1338-1342
We have determined the crystal structures of bicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5,6‐dicarboxylic anhydride, C9H8O3, (I), 1,2,3,4,7,7‐hexachlorobicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5,6‐dicarboxylic anhydride diethyl ether solvate, C9H2Cl6O3·0.16C4H10O, (II), bicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5,6‐dicarboxylic acid, C9H10O4, (III), 1,2,3,4,7,7‐hexachlorobicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5,6‐dicarboxylic acid, C9H4Cl6O4, (IVa) and (IVb), and ethyl 1,2,3,4,7,7‐hexachloro‐6‐carboxybicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5‐carboxylate monohydrate, C11H8Cl6O4·H2O, (V). Compounds (I) and (II) were prepared by a standard Diels–Alder reaction from maleic anhydride and cyclopentadiene or hexachlorocyclopentadiene, respectively. The crystal‐growing processes of these compounds led to surprising results: rapid recrystallization of (I) from diethyl ether and (II) from petroleum ether gave crystals of these compounds, however, crystallization by slow evaporation techniques using common solvents yielded new compounds in which the five‐membered heterocycle has been cleaved. 相似文献
5.
Peter D. W. Boyd Clifton E. F. Rickard Kingsley J. Cavell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):e16-e18
The structures of a series of four‐coordinate nickel(II) complexes of the form [Ni(sacsac)L] PF6 (sacsac = pentane‐2,4‐dithione anion; L = (Ph2P)2(CH2)n, n = 1,2,3) have beendetermined. These are [bis(diphenylphosphino)methane](pentane‐2,4‐dithionato‐S,S′)nickel(II) hexafluorophosphate, [Ni(C25H22P2)(C5H7S2)]PF6, [1,2‐bis(diphenylphosphino)ethane](pentane‐2,4‐dithionato–S,S′)nickel(II) hexafluorophosphate, [Ni(C26H24P2)(C5H7S2)]PF6, and [1,3‐bis(diphenylphosphino)propane](pentane‐2,4‐dithionato‐S,S′)nickel(II) hexafluorophosphate, [Ni(C27H26P2)(C5H7S2)]PF6. All have a distorted square‐planar arrangement about Ni with angles around Ni varying with the length of the hydrocarbon chain. 相似文献
6.
Russell G. Baughman Kenneth L. Martin Rajendra K. Singh James O. Stoffer 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o103-o106
In 2,4‐dihydroxybenzaldehyde 2,4‐dinitrophenylhydrazone N,N‐dimethylformamide solvate {or 4‐[(2,4‐dinitrophenyl)hydrazonomethyl]benzene‐1,3‐diol N,N‐dimethylformamide solvate}, C13H10N4O6·C3H7NO, (X), 2,4‐dihydroxyacetophenone 2,4‐dinitrophenylhydrazone N,N‐dimethylformamide solvate (or 4‐{1‐[(2,4‐dinitrophenyl)hydrazono]ethyl}benzene‐1,3‐diol N,N‐dimethylformamide solvate), C14H12N4O6·C3H7NO, (XI), and 2,4‐dihydroxybenzophenone 2,4‐dinitrophenylhydrazone N,N‐dimethylacetamide solvate (or 4‐{[(2,4‐dinitrophenyl)hydrazono]phenylmethyl}benzene‐1,3‐diol N,N‐dimethylacetamide solvate), C19H14N4O6·C4H9NO, (XII), the molecules all lack a center of symmetry, crystallize in centrosymmetric space groups and have been observed to exhibit non‐linear optical activity. In each case, the hydrazone skeleton is fairly planar, facilitated by the presence of two intramolecular hydrogen bonds and some partial N—N double‐bond character. Each molecule is hydrogen bonded to one solvent molecule. 相似文献
7.
Setsuo Kashino Takeo Fukunaga Hironobu Izutsu Shiho Miyashita 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):627-631
2‐Pyridone (2‐oxopyrimidine) forms hydrogen‐bonded complexes with dicarboxylic acids, the molar ratio of 2‐pyridone/dicarboxylic acid being 2:1 for the complexes with oxalic acid (ethanedioic acid), 2C5H5NO·C2H2O4, (I), and trans‐β‐hydromuconic acid (trans‐hex‐3‐enedioic acid), 2C5H5NO·C6H8O4, (II), and 1:1 for the complexes with trans‐glutaconic acid (trans‐pent‐2‐enedioic acid), C5H5NO·C5H6O4, (III), and l ‐tartaric acid (l ‐2,3‐dihydroxybutanedioic acid), C5H5NO·C4H6O6·H2O, (IV). Common features in the hydrogen‐bonding patterns were found for the centrosymmetric and non‐centrosymmetric acids, respectively. The 2‐pyridone molecule takes the lactam form in these crystals. 相似文献
8.
Pascal C. Leverd Dirk Weber Wolf D. Habicher Martine Nierlich 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):997-998
The acyclic tetraphenolic derivative 2,2′‐methylenebis[6‐(3‐tert‐butyl‐2‐hydroxy‐5‐methylbenzyl)‐4‐methylphenol] reacts with excess triethylamine in acetonitrile to form a molecular complex, i.e. triethylammonium 2‐(3‐tert‐butyl‐2‐hydroxy‐5‐methylbenzyl)‐6‐[3‐(3‐tert‐butyl‐2‐hydroxy‐5‐methylbenzyl)‐2‐hydroxy‐5‐methylbenzyl]‐4‐methylphenolate acetonitrile solvate, C6H16N+·C39H47O4?·C2H3N, where the organic HNEt3+ cation is included in the partial cone defined by the aromatic faces of the acyclic polyphenolate. 相似文献
9.
Mustafa OdabasÛoglu igdem Albayrak Orhan Büyükgüngr Peter Lnnecke 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o616-o619
The title compounds, 2‐{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa‐3,5‐dien‐1(2H)‐one, C11H15NO4, (I), 6‐hydroxy‐2‐{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa‐3,5‐dien‐1(2H)‐one, C11H15NO5, (II), and 6‐methoxy‐2‐{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa‐3,5‐dien‐1(2H)‐one, C12H17NO5, (III), adopt the keto–amine tautomeric form, with the formal hydroxy H atom located on the N atom, and the NH group and oxo O atom display a strong intramolecular N—H⋯O hydrogen bond. The N—H⋯O hydrogen‐bonded rings are almost planar and coupled with the cyclohexadiene rings. The carbonyl O atoms accept two other H atoms from the alcohol groups of adjacent molecules in (I), and one from the alcohol and one from the phenol group in (II), but from only one alcohol H atom in (III). 相似文献
10.
Prakas R. Maulik Kamlakar Avasthi Sanjay Sarkhel Tilak Chandra Diwan S. Rawat Brad Logsdon Robert A. Jacobson 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1361-1363
In the crystal structures of 4,6‐dimethylthio‐1‐[3‐(4,6‐dimethylthio‐2H‐pyrazolo[3,4‐d]pyrimidin‐2‐yl)propyl]‐1H‐pyrazolo[3,4‐d]pyrimidine, C17H20N8S4, and 1‐[4‐(4‐methoxy‐6‐methylthio‐1H‐pyrazolo[3,4‐d]pyrimidin‐1‐yl)butyl]‐5‐methyl‐6‐methylthio‐4,5‐dihydro‐1H‐pyrazolo[3,4‐d]pyrimidin‐4‐one, C18H22N8O2S2, only intermolecular stacking due to aromatic π–π interactions between pyrazolo[3,4‐d]pyrimidinerings is present. 相似文献
11.
Janet M. S. Skakle James L. Wardell Solange M. S. V. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):787-789
Molecules of diphenyl(2‐thioxo‐1,3‐dithiole‐4,5‐dithiolato‐S,S′)plumbane, [Pb(C3S5)(C6H5)2], are linked into sheets via two intermolecular Pb?Sthione interactions of 3.322 (4) and 3.827 (4) Å; the Pb centre has a distorted octahedral geometry. In contrast, molecules of diphenyl(2‐thioxo‐1,3‐dithiole‐4,5‐dithiolato‐S,S′)stannane, [Sn(C3S5)(C6H5)2], are linked into chains via a single intermolecular Sn—Sthione interaction of 2.8174 (9) Å; the Sn centre has a distorted trigonal‐bipyramidal geometry. 相似文献
12.
Masood Parvez Kaleem M. Khosa Muhammad Mazhar Saqib Ali Manzar Sohail 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m51-m54
The crystal structures of 3,3‐dimethyl‐3‐(trichlorogermyl)propionic acid, [Ge(C5H9O2)Cl3], 3,3‐dimethyl‐3‐(triphenylgermyl)propionic acid, [Ge(C6H5)3(C5H9O2)], and 3,3‐dimethyl‐3‐(tri‐p‐tolylgermyl)propionic acid, [Ge(C7H7)3(C5H9O2)], have slightly distorted tetrahedral geometries about the Ge atoms. All the structures form dimers via strong O—H·O hydrogen bonds, resulting in eight‐membered rings that can be best described in terms of graph‐set notation (8). 相似文献
13.
Paul G. Jene Christopher G. Pernin James A. Ibers 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):730-734
The X‐ray structure of 1,2,4,5‐tetrahydroxybenzene (benzene‐1,2,4,5‐tetrol) monohydrate, C6H6O4·H2O, (I), reveals columns of 1,2,4,5‐tetrahydroxybenzene parallel to the b axis that are separated by 3.364 (12) and 3.453 (11) Å. Molecules in adjacent columns are tilted relative to each other by 27.78 (8)°. Water molecules fill the channels between the columns and are involved in hydrogen‐bonding interactions with the 1,2,4,5‐tetrahydroxybenzene molecules. The crystal structure of the adduct 1,2,4,5‐tetrahydroxybenzene–2,5‐dihydroxy‐1,4‐benzoquinone (1/1), C6H6O4·C6H4O4, (II), reveals alternating molecules of 1,2,4,5‐tetrahydroxybenzene and 2,5‐dihydroxy‐1,4‐benzoquinone (both lying on inversion centers), and a zigzag hydrogen‐bonded network connecting molecules in three dimensions. For compound (II), the conventional X‐ray determination, (IIa), is in very good agreement with the synchrotron X‐ray determination, (IIb). When differences in data collection temperatures are taken into account, even the displacement parameters are in very good agreement. 相似文献
14.
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
15.
Yong Nie Chun‐Hua Hu Xue Li Wei Yong Jian‐Min Dou Jie Sun Ruo‐Shui Jin Pei‐Ju Zheng 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):897-899
Each of the title compounds, 8‐methoxy‐7,7‐bis(triphenylphosphine‐P)‐8,9:10,11‐di‐μH‐7‐platina‐nido‐undecaborane dichloromethane hemisolvate, [Pt(CH14B10O)(C18H15P)2]·0.5CH2Cl2, (I), 8‐isopropoxy‐7,7‐bis(triphenylphosphine‐P)‐8,9:10,11‐di‐μH‐7‐platina‐nido‐undecaborane dichloromethane solvate, [Pt(C3H18B10O)(C18H15P)2]·CH2Cl2, (II), and 9‐isopropoxy‐7,7‐bis(triphenylphosphine‐P)‐8,9:10,11‐di‐μH‐7‐platina‐nido‐undecaborane dichloromethane solvate, [Pt(C3H18B10O)(C18H15P)2]·CH2Cl2, (III), has an 11‐vertex nido polyhedral skeleton, with the 7‐platinum centre ligating to two exo‐polyhedral PPh3 groups and an alkoxy‐substituted polyhedral borane ligand. Compounds (II) and (III) are isomers. The Pt—B distances are in the range 2.214 (7)–2.303 (7) Å for (I), 2.178 (16)–2.326 (16) Å for (II) and 2.205 (6)–2.327 (6) Å for (III). 相似文献
16.
Tomoko Harada Satoko Wada Hidetaka Yuge Takeshi Ken Miyamoto 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(2):m37-m39
In the two ruthenium(II)–porphyrin–carbene complexes (dibenzoylcarbenyl‐κC)(pyridine‐κN)(5,10,15,20‐tetra‐p‐tolylporphyrinato‐κ4N)ruthenium(II), [Ru(C15H10O2)(C5H5N)(C48H36N4)], (I), and (pyridine‐κN)(5,10,15,20‐tetra‐p‐tolylporphyrinato‐κ4N)[bis(3‐trifluoromethylphenyl)carbenyl‐κC]ruthenium(II), [Ru(C15H8F6)(C5H5N)(C48H36N4)], (II), the pyridine ligand coordinates to the octahedral Ru atom trans with respect to the carbene ligand. The C(carbene)—Ru—N(pyridine) bonds in (I) coincide with a crystallographic twofold axis. The Ru—C bond lengths of 1.877 (8) and 1.868 (3) Å in (I) and (II), respectively, are slightly longer than those of other ruthenium(II)–porphyrin–carbene complexes, owing to the trans influence of the pyridine ligands. 相似文献
17.
Paul V. Bernhardt Lorraine M. Caldwell David B. Lovejoy Des R. Richardson 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o629-o633
The X‐ray crystal structures are reported of four novel and potentially O,N,S‐tridentate donor ligands that demonstrate antitumour activity. These ligands are 1‐[(4‐methylthiosemicarbazono)methyl]‐2‐naphthol, C13H13N3OS, (III), 1‐[(4‐ethylthiosemicarbazono)methyl]‐2‐naphthol, C14H15N3OS, (IV), 1‐[(4‐phenylthiosemicarbazono)methyl]‐2‐naphthol, C18H15N3OS, (V), and 1‐[(4,4‐dimethylthiosemicarbazono)methyl]‐2‐naphthol dimethyl sulfoxide solvate, C14H15N3OS·C2H6OS, (VI). These chelators are N4‐substituted thiosemicarbazones, each based on the same parent aldehyde, namely 2‐zhydroxynaphthalene‐1‐carboxaldehyde isonicotinoylhydrazone. Conformational variations within this series are discussed in relation to the optimum conformation for metal‐ion binding. 相似文献
18.
Andrew Hempel Norman Camerman Donald Mastropaolo Arthur Camerman 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1225-1227
The crystal structure of the title compound contains four 2,4‐diamino‐5‐methyl‐6‐[(3,4,5‐trimethoxyanilino)methyl]quinazoline molecules, two dimethyl sulfoxide molecules and three water molecules in the asymmetric unit, i.e. 4C19H23N5O3·2C2H6OS·3H2O. All four quinazoline molecules adopt trans,gauche conformations. An extensive hydrogen‐bond network involving N?N base‐pairing interactions, as well as the dimethyl sulfoxide and water molecules, stabilizes the crystal structure. 相似文献
19.
Kishie Noguchi Takashi Tamura Hidetaka Yuge Takeshi Ken Miyamoto 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):171-173
In two linkage isomers, bis[1,3‐dimethyl‐2,4,6(1H,3H,5H)‐pyrimidinetrionato]‐C5,O4‐(ethylenediamine‐N,N′)platinum(II), [Pt(C6H7N2O3)2(C2H8N2)], (I), and bis[1,3‐dimethyl‐2,4,6(1H,3H,5H)‐pyrimidinetrionato‐C5](ethylenediamine‐N,N′)platinum(II) dihydrate, [Pt(C6H7N2O3)2(C2H8N2)]·2H2O, (II), crystallized from the same aqueous solution containing [Pt(en)(OH)2] and 1,3‐dimethylbarbituric acid (Hdmbarb) in a 1:2 molar ratio, a pair of monodentate dmbarb? anions coordinate to the Pt atom at tetrahedral C atoms for (II), while one dmbarb? anion coordinates at the carbon and the other at a deprotonated enol oxygen for (I). The Pt—C distances in (I) and (II) are comparable: 2.112 (4) Å for (I), and 2.114 (4) and 2.117 (4) Å for (II). 相似文献
20.
Graham Smith Urs D. Wermuth Jonathan M. White 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o575-o581
The crystal structures of quinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate trihydrate, C9H8N+·C7H5O6S−·3H2O, (I), 8‐hydroxyquinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate monohydrate, C9H8NO+·C7H5O6S−·H2O, (II), 8‐aminoquinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate dihydrate, C9H9N2+·C7H5O6S−·2H2O, (III), and 2‐carboxyquinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate quinolinium‐2‐carboxylate, C10H8NO2+·C7H5O6S−·C10H7NO2, (IV), four proton‐transfer compounds of 5‐sulfosalicylic acid with bicyclic heteroaromatic Lewis bases, reveal in each the presence of variously hydrogen‐bonded polymers. In only one of these compounds, viz. (II), is the protonated quinolinium group involved in a direct primary N+—H⋯O(sulfonate) hydrogen‐bonding interaction, while in the other hydrates, viz. (I) and (III), the water molecules participate in the primary intermediate interaction. The quinaldic acid (quinoline‐2‐carboxylic acid) adduct, (IV), exhibits cation–cation and anion–adduct hydrogen bonding but no direct formal heteromolecular interaction other than a number of weak cation–anion and cation–adduct π–π stacking associations. In all other compounds, secondary interactions give rise to network polymer structures. 相似文献