共查询到20条相似文献,搜索用时 31 毫秒
1.
Renata Toplak Nina Lah Julija Volmajer Ivan Leban Alenka Majcen Le Marchal 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):o502-o505
The reaction of different substituted α‐cyanooxiranes with thiourea resulted in the formation of the 2‐aminothiazolinone derivative 2‐amino‐5‐(2,5‐dimethoxyphenyl)‐1,3‐thiazol‐4(5H)‐one, C11H12N2O3S, (I), and the 2‐aminothiazole derivative ethyl 2‐amino‐5‐(2,5‐dimethoxyphenyl)‐1,3‐thiazole‐4‐carboxylate, C14H16N2O4S, (II). The geometries of the two crystallographically independent molecules in (II) are nearly identical but mirror related. The crystal structures of both compounds contain two types of intermolecular hydrogen bonds. 相似文献
2.
Sara K. Metcalf Elizabeth M. Holt 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1228-1231
Diethyl 4‐(2,5‐dimethoxyphenyl)‐2,6‐dimethyl‐1,4‐dihydropyridine‐3,5‐dicarboxylate, C21H27NO6, (I), diethyl 4‐(3,4‐dimethoxyphenyl)‐2,6‐dimethyl‐1,4‐dihydropyridine‐3,5‐dicarboxylate, C21H27NO6, (II), and diethyl 2,6‐dimethyl‐4‐(3,4,5‐trimethoxyphenyl)‐1,4‐dihydropyridine‐3,5‐dicarboxylate, C22H29NO7, (III), crystallize with hydrogen‐bonding networks involving the H atom bonded to the N atom of the 1,4‐dihydropyridine ring and carbonyl O atoms in (I) and (II). Unusually, (III) shows O atoms of methoxy groups serving as hydrogen‐bond acceptors. 相似文献
3.
Jia‐Geng Liu Jing‐Jing Nie Duan‐Jun Xu Yuan‐Zhi Xu Jing‐Yun Wu Michael Y. Chiang 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):354-355
The title complex, [CuCl2(C6H6N4S2)], has a flattened tetrahedral coordination. The CuII atom is located on a twofold rotation axis and is coordinated by two N atoms from a chelating 2,2′‐diamino‐4,4′‐bi‐1,3‐thiazole ligand and by two Cl atoms. Intramolecular hydrogen bonding exists between the amino groups of the 2,2′‐diamino‐4,4′‐bi‐1,3‐thiazole ligand and the Cl atoms. The intermolecular separation of 3.425 (1) Å between parallel bithiazole rings suggests there is a π–π interaction between them. 相似文献
4.
Masood Parvez Sumaira Umbreen Farzana Latif Ansari 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):o298-o301
In the structures of 2‐(4‐chlorophenyl)‐4‐(2‐hydroxyphenyl)‐2,3‐dihydro‐1,5‐benzothiazepine, C21H16ClNOS, 4‐(2‐hydroxyphenyl)‐2‐(4‐tolyl)‐2,3‐dihydro‐1,5‐benzothiazepine, C22H19NOS, and 4‐(2‐hydroxyphenyl)‐2‐(3‐methoxyphenyl)‐2,3‐dihydro‐1,5‐benzothiazepine, C22H19NO2S, the central seven‐membered heterocyclic rings adopt twist‐boat conformations in which the N atoms are involved in strong intramolecular hydrogen bonds with the hydroxyl H atoms, resulting in six‐membered rings. 相似文献
5.
Johan Wouters Bernadette Norberg Salvatore Guccione 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o69-o71
The crystal structures of 4‐methyl‐2‐[N‐(3,4‐methylenedioxybenzylidene)hydrazino]thiazole, C12H11N3O2S, and its reduction product 4‐methyl‐2‐[N‐(3,4‐methylenedioxybenzylidene)hydrazono]‐4,5‐dihydrothiazole, C12H13N3O2S, have been determined and compared. In the reduction product, the tautomer observed bears an H atom on the exocyclic N atom. Both compounds form hydrogen‐bonded dimers over centers of inversion. 相似文献
6.
Renata Toplak Dominique Lorcy 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):o370-o372
In the crystal structure of the title 1:1 complex, ethyl 2‐{[5‐(ethoxycarbonyl)‐2,3‐dihydro‐3,4‐dimethyl‐1,3‐thiazol‐2‐ylidene]hydrazono}‐2,3‐dihydro‐3,4‐dimethyl‐1,3‐thiazole‐5‐carboxylate–7,7,8,8‐tetracyano‐p‐quinodimethane (1/1), C16H22N4O4S2·C12H4N4, the planar donor and tetracyano‐p‐quinodimethane (TCNQ) molecules are each located on inversion centres and are stacked alternately. The bond lengths indicate that, in this complex, the donor and acceptor are neutral, as confirmed by IR investigation. 相似文献
7.
Magorzata Domagaa Anthony Linden Tomasz A. Olszak Grzegorz Mlosto Heinz Heimgartner 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):o250-o253
The title compounds, namely dimethyl (2RS)‐2,3‐diphenyl‐1,3‐thiazolidine‐5‐spiro‐2′‐adamantane‐4,4‐dicarboxylate methanol solvate, C28H31NO4S·0.275CH4O, and dimethyl (4RS)‐3,4‐diphenyl‐1,3‐thiazolidine‐5‐spiro‐9′‐(9′H‐fluorene)‐2,2‐dicarboxylate, C31H25NO4S, were obtained from dipolar [2+3]‐cycloadditions of an azomethine ylide with adamantanethione and thiofluorenone, respectively. The structures show that the choice of thioketone affects the regioselectivity of the cycloaddition. The asymmetric unit of the former structure contains two molecules of the thiazolidine derivative plus a site for a partial occupancy (55%) methanol molecule. O—H⋯O and C—H⋯O interactions link two of each of these entities into closed centrosymmetric hexamers. The five‐membered ring in each structure has an envelope conformation. 相似文献
8.
Roberto Centore Antonio Roviello Angela Tuzi Barbara Panunzi 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m26-m28
The title compounds, {5‐(dimethylamino)‐2‐[N‐(4‐methoxyphenyl)iminomethyl]phenyl}[N‐(4‐methoxyphenyl)‐4‐nitrosalicylaldiminato]palladium(II), [Pd(C14H11N2O4)(C16H17N2O)], (I), and [4‐(diethylamino)‐N‐(4‐methoxyphenyl)salicylaldiminato]{2‐[N‐(4‐methoxyphenyl)iminomethyl]‐5‐nitrophenyl}palladium(II) dichloromethane hemisolvate, [Pd(C14H11N2O3)(C18H21N2O2)]·0.5CH2Cl2, (II), both contain push–pull chromophores coordinated to Pd in a square‐planar arrangement. In both compounds, the five‐membered orthopalladated ring is essentially planar, while the coordinated six‐membered ring is not. Deviations from a coplanar arrangement of the phenylene rings of the coordinated Schiff bases are observed in both (I) and (II) as a result of intramolecular steric interactions. 相似文献
9.
Jacek Zaleski Grzegorz Spaleniak Janusz B. Kyzio 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o627-o629
The geometries of the thiazole ring and the nitramino groups in N‐(3H‐thiazol‐2‐ylidene)nitramine, C3H3N3O2S, (I), and N‐methyl‐N‐(thiazol‐2‐yl)nitramine, C4H5N3O2S, (II), are very similar. The nitramine group in (II) is planar and twisted along the C—N bond with respect to the thiazole ring. In both structures, the asymmetric unit includes two practically equal molecules. In (I), the molecules are arranged in layers connected to each other by N—H⋯N and much weaker C—H⋯O hydrogen bonds. In the crystal structure of (II), the molecules are arranged in layers bound to each other by both weak C—H⋯O hydrogen bonds and S⋯O dipolar interactions. 相似文献
10.
Süheyla
zbey Nesrin Gkhan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):o737-o739
A new type of benzothiazolinone derivative with potential pharmacological activity, viz. 6‐(3,4‐difluorobenzoyl)‐3‐[2‐(4‐pyridyl)ethyl]‐1,3‐benzothiazol‐2(3H)‐one, C21H14F2N2O2S, has been prepared and studied by NMR, IR and single‐crystal X‐ray diffraction techniques. The molecule is not planar, the pyridine and difluorobenzene moieties being located above and below the benzothiazole ring system. The carbonyl O atoms are involved in an intramolecular hydrogen‐bond‐type interaction. 相似文献
11.
Michael Bolte Alexander Degen Stephan Rühl 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):446-451
We have determined the crystal structures of 2,2′‐(4‐fluorophenyl)methylenebis(3‐hydroxy‐5,5‐dimethyl‐2‐cyclohexen‐1‐one), C23H27FO4, (I), 2,2′‐(4‐chlorophenyl)methylenebis(3‐hydroxy‐5,5‐dimethyl‐2‐cyclohexen‐1‐one), C23H27ClO4, (II), 2,2′‐(4‐hydroxyphenyl)methylenebis(3‐hydroxy‐5,5‐dimethyl‐2‐cyclohexen‐1‐one), C23H28O5, (III), 2,2′‐(4‐methylphenyl)methylenebis(3‐hydroxy‐5,5‐dimethyl‐2‐cyclohexen‐1‐one), C24H30O4, (IV), 2,2′‐(4‐methoxyphenyl)methylenebis(3‐hydroxy‐5,5‐dimethyl‐2‐cyclohexen‐1‐one), C24H30O5, (V), and 2,2′‐(4‐N,N′‐dimethylaminophenyl)methylenebis(3‐hydroxy‐5,5‐dimethyl‐2‐cyclohexen‐1‐one), C25H33NO4, (VI). Structures (III) to (VI) of these bis‐dimedone derivatives show nearly the same packing pattern irrespective of the different substituent in the para position of the aromatic ring. However, (II) does not fit into this scheme, although the Cl atom is a substituent not too different from the others. The different packing of the fluoro compound, (I), can be explained by the fact that it crystallizes with two molecules in the asymmetric unit, which show a different conformation of the dimedone ring. On the other hand, (I) shows a similar packing pattern to bis(2‐hydroxy‐4,4‐dimethyl‐6‐oxo‐1‐cyclohexenyl)phenylmethane, a compound containing an aromatic ring without any substituent and with Z′ = 2. 相似文献
12.
A. R. Choudhury K. Nagarajan T. N. Guru Row 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o219-o222
The crystal and molecular structures of the three 4‐ketotetrahydroindoles 2‐(4‐chlorophenyl)‐1‐(4‐fluorophenyl)‐6,6‐dimethyl‐4,5,6,7‐tetrahydro‐1H‐indol‐4‐one (C22H19ClFNO), (I), 1‐(4‐fluorophenyl)‐2‐(4‐methoxyphenyl)‐6,6‐dimethyl‐4,5,6,7‐tetrahydro‐1H‐indol‐4‐one (C23H22FNO2), (II), and 6,6‐dimethyl‐1,2‐diphenyl‐4,5,6,7‐tetrahydro‐1H‐indol‐4‐one (C22H21NO), (III), have been determined via single‐crystal X‐ray diffraction in order to study the intermolecular interactions therein. All three structures are stabilized via intermolecular C—H⋯O and C—H⋯π interactions, generating different molecular motifs. 相似文献
13.
Arzu
zek idem Albayrak Mustafa Odabaolu Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):o177-o180
The title compounds, (E)‐2‐[(2‐bromophenyl)iminomethyl]‐4‐methoxyphenol, C14H12BrNO2, (I), (E)‐2‐[(3‐bromophenyl)iminomethyl]‐4‐methoxyphenol, C14H12BrNO2, (II), and (E)‐2‐[(4‐bromophenyl)iminomethyl]‐4‐methoxyphenol, C14H12BrNO2, (III), adopt the phenol–imine tautomeric form. In all three structures, there are strong intramolecular O—H⋯N hydrogen bonds. Compound (I) has strong intermolecular hydrogen bonds, while compound (III) has weak intermolecular hydrogen bonds. In addition to these intermolecular interactions, C—H⋯π interactions in (I) and (III), and π–π interactions in (I), play roles in the crystal packing. The dihedral angles between the aromatic rings are 15.34 (12), 6.1 (3) and 39.2 (14)° for (I), (II) and (III), respectively. 相似文献
14.
Marcin Palusiak Arno Pfitzner Manfred Zabel Sawomir J. Grabowski Jan Epsztajn Justyna A. Kowalska 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):o239-o241
In methyl [5‐methoxy‐4‐(4‐methoxyphenyl)isochroman‐3‐yl]acetate, C20H22O5, (I), and methyl [4‐(2,5‐dimethoxyphenyl)‐8‐methoxyisochroman‐3‐yl]acetate, C21H24O6, (II), the heterocyclic rings adopt half‐chair conformations. The substituents at the 3‐ and 4‐positions are in a trans configuration in both (I) and (II), being in an axial conformation in (I) and in an equatorial conformation in (II). The crystal structure of (I) is stabilized by weak C—H⋯O hydrogen bonding, leading to the formation of an infinite three‐dimensional network. Compound (II) crystallizes in a chiral space group. This feature, which was also found in previously investigated isochroman derivatives, is related to the arrangement of substituents attached to the isochroman moiety. 相似文献
15.
Angle Chiaroni Claude Riche Sverinne Rigolet Jean‐Marie Mlot Joël Vebrel 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):473-474
The two title 5‐oxa‐2,6‐diazaspiro[3.4]octan‐1‐one adducts, 7‐benzoyl‐2‐(4‐methoxyphenyl)‐6‐phenyl‐5‐oxa‐2,6‐diazaspiro[3.4]octan‐1‐one, C25H22N2O4, (III), and 6‐tert‐butyl‐2‐(4‐methylphenyl)‐7‐phenyl‐5‐oxa‐2,6‐diazaspiro[3.4]octan‐1‐one, C22H26N2O2, (IV), were obtained from a stereospecific [3+2] 1,3‐cycloaddition of 3‐methylene azetidin‐2‐ones as dipolarophiles with nitrones. The lactam ring is conjugated with the p‐methoxyphenyl or p‐methylphenyl moiety. The envelope conformations of the isoxazolidine rings in (III) and (IV) are different, leading the substituents to be pseudo‐axial in (III) and pseudo‐equatorial in (IV). 相似文献
16.
Tullio Pilati Gianluigi Casalone 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o178-o180
The title diastereoisomers, methyl 5‐(S)‐[2‐(S)‐methoxycarbonyl)‐2,3,4,5‐tetrahydropyrrol‐1‐ylcarbonyl]‐1‐(4‐methylphenyl)‐4,5‐dihydropyrazole‐3‐carboxylate and methyl 5‐(S)‐[2‐(R)‐methoxycarbonyl)‐2,3,4,5‐tetrahydropyrrol‐1‐ylcarbonyl]‐1‐(4‐methylphenyl)‐4,5‐dihydropyrazole‐3‐carboxylate, both C19H23N3O5, have been studied in two crystalline forms. The first form, methyl 5‐(S)‐[2‐(S)‐methoxycarbonyl)‐2,3,4,5‐tetrahydropyrrol‐1‐ylcarbonyl]‐1‐(4‐methylphenyl)‐4,5‐dihydropyrazole‐3‐carboxylate–methyl 5‐(S)‐[2‐(R)‐methoxycarbonyl)‐2,3,4,5‐tetrahydropyrrol‐1‐ylcarbonyl]‐1‐(4‐methylphenyl)‐4,5‐dihydropyrazole‐3‐carboxylate (1/1), 2(S),5(S)‐C19H23N3O5·2(R),5(S)‐C19H23N3O5, contains both S,S and S,R isomers, while the second, methyl 5‐(S)‐[2‐(S)‐methoxycarbonyl)‐2,3,4,5‐tetrahydropyrrol‐1‐ylcarbonyl]‐1‐(4‐methylphenyl)‐4,5‐dihydropyrazole‐3‐carboxylate, 2(S),5(S)‐C19H23N3O5, is the pure S,S isomer. The S,S isomers in the two structures show very similar geometries, the maximum difference being about 15° on one torsion angle. The differences between the S,S and S,R isomers, apart from those due to the inversion of one chiral centre, are more remarkable, and are partially due to a possible rotational disorder of the 2‐(methoxycarbonyl)tetrahydropyrrole group. 相似文献
17.
Gang Xue Qi Fang Wentao Yu 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o653-o655
4,5‐Propylenedithio‐1,3‐dithiole‐2‐thione, C6H6S5, (I), crystallizes in the centrosymmetric space group P21/c. The molecular packing is characterized by pairs of S⋯S intermolecular contacts between neighbouring molecules, which may account for the rather high thermal stablity of the crystal. 4,5‐Propylenedithio‐1,3‐dithiol‐2‐one, C6H6OS4, (II), in which an O atom replaces the terminal S atom of (I), crystallizes in the non‐centrosymmetric polar space group Cc. The packing pattern of (II) indicates that the macropolarization direction is along [101]. Although the packing patterns are qualitatively significantly different, the molecular structures of (I) and (II) are similar, each exhibiting a chair conformation. 相似文献
18.
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
19.
M. D. Crozet P. Vanelle M. Giorgi A. Gellis 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):o496-o498
The title compounds, C13H15N3O5S and C11H10N2O4S2, respectively, both contain a phenylsulfonyl group connected, through a methylene bridge, to either a substituted nitroimidazole or nitro‐1,3‐thiazole ring. In the imidazole‐containing molecule, the nitro and sulfonyl groups are trans relative to the sulfonyl–methyl bond, while in the thiazole‐containing molecule, these substituents are cis. The stabilizing interactions within the crystals are also different between the two compounds. 相似文献
20.
Hiroyuki Hosomi Shigeru Ohba Yoshikatsu Ito 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):e149-e150
In the three title crystal structures 4‐(dimethylamino)pyridinium 2,4‐dinitrobenzoate, (I), 4‐(dimethylamino)pyridinium 3,4‐dinitrobenzoate, (II), and 4‐(dimethylamino)pyridinium 3,5‐dinitrobenzoate, (III), all C7H11N2+·C7H3N2O6?, the ions are connected by an N—H?O hydrogen bond. Dihedral angles between the pyridine and phenyl rings are 69.9 (1), 26.7 (1) and 56.2 (1)° in (I), (II) and (III), respectively. Donor–acceptor π–π stacking is observed in (II) and (III), but not in (I). 相似文献