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1.
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
2.
Vijayakumar N. Sonar Sean Parkin Peter A. Crooks 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):o660-o661
The crystal structure of the title compound, C15H17NO2, contains two nearly identical but crystallographically independent molecules, each with a double bond connecting an azabicyclic ring system to a 3‐methoxybenzylidene moiety. The space group is triclinic P. The benzene ring is twisted by 18.44 (5) and 22.35 (4)° with respect to the plane of the double bond connected to the azabicyclic ring system for the two molecules. In addition to C—H⋯π interactions, molecules are held together in the solid state by van der Waals interactions. 相似文献
3.
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
4.
Mohammed A. E. Shaban Ali Morgaan Hyungphil Chun Ivan Bernal 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):e472-e473
Oxidative cyclization of 5‐ethyl‐3‐(4‐methoxybenzylidene)hydrazino‐1,2,4‐triazino[5,6‐b]indole gave the linearly annelated title compound, C19H16N6O. The skeleton is approximately planar, except for the ethyl group. 相似文献
5.
Jun‐Gill Kang Jung‐Pyo Hong Il‐Hwan Suh 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):231-232
In the crystal structure of the title compound, 4‐cyano‐N‐(4‐methoxybenzylidene)phenylamine N‐oxide, C15H12N2O2, the 4‐methoxyphenyl is approximately coplanar with the nitrone moiety but significantly rotated with respect to the 4‐cyanophenyl moiety. The extent of this rotation is significantly different for the two crystallographically independent molecules of the asymmetric unit [dihedral angles of 19.4 (1) and 26.5 (1)°]. The geometry about the C=N bond is Z. The two molecules are related to one another by a pseudo inversion centre. 相似文献
6.
Ying‐Quan Zou Xia Li Yan Li Huai‐Ming Hu 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1048-1050
The title compound, tetrakis(μ‐2,3‐dimethoxybenzoato)‐κ4O:O′;κ6O,O′:O′‐bis[(2,2′‐bipyridine‐N,N′)(2,3‐dimethoxybenzoato‐O,O′)lanthanum(III)], [La2(2,3‐DMOBA)6(2,2′‐bpy)2], where 2,3‐DMOBA is 2,3‐dimethoxybenzoate (C9H9O4) and 2,2′‐bpy is 2,2′‐bipyridine (C10H8N2), is a dimer with a centre of inversion between the La atoms bridged by four carboxylate ligands. The central La atom is ennea‐coordinated and has a distorted monocapped square‐antiprism geometry. 相似文献
7.
Jan Janczak Ryszard Kubiak 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):o506-o508
The title compound, C12H8N4, was obtained by thermal treatment of 3‐cyanopyridine in the presence of magnesium phthalocyanine as catalyst. The X‐ray structure analysis, in direct contrast to molecular orbital calculations corresponding to the gas phase, shows the molecule to be non‐planar in the solid state, with an interplanar angle between the pyridine and 1,3,8‐triazanaphthalene rings of 13.33 (9)°. Molecules related to one another by cell translation, and positioned at intervals consistent with π–π intermolecular interactions, form stacks in the b direction. 相似文献
8.
Daniel E. Lynch Helen L. Duckhouse 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):e425-e425
The structure of the title compound, [Cu2(C9H9O3)4(C4H5N3)], comprises a zigzag polymer of alternating tetrakis(carboxylato‐O:O′)dicopper(II) and 2‐aminopyrimidine units linked by axial Cu—N bonds, and the non‐centrosymmetric structure has four unique (3‐methoxyphenyl)acetate moieties. 相似文献
9.
Guangrong Zheng Sean Parkin Linda P. Dwoskin Peter A. Crooks 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o9-o11
The crystal structures of the title compounds, 2α,4α‐dibenzyl‐3α‐tropanol (2α,4α‐dibenzyl‐8‐methyl‐8‐azabicyclo[3.2.1]octan‐3α‐ol), C22H27NO, (I), and 2α,4α‐dibenzyl‐3β‐tropanol (2α,4α‐dibenzyl‐8‐methyl‐8‐azabicyclo[3.2.1]octan‐3β‐ol), C22H27NO, (II), show that both compounds have a piperidine ring in a chair conformation and a pyrrolidine ring in an envelope conformation. Isomer (I) is asymmetric, the benzyl groups having different orientations, whereas isomer (II) is mirror symmetric, and the N and O atoms, the C atom attached to the hydroxy group, and the methyl C atom attached to the N atom lie on the mirror plane. In the crystal structures of both (I) and (II), the molecules are linked together by intermolecular O—H⋯N hydrogen bonds to form chains that run parallel to the a direction in (I) and parallel to b in (II). 相似文献
10.
Vijayakumar N. Sonar Sean Parkin Peter A. Crooks 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o6-o8
The title compound, C16H16N2O, which contains a double bond connecting an azabicyclic ring system to an indol‐3‐ylmethylene group, crystallizes from a solution in ethyl acetate. The geometries of the two crystallographically independent molecules are nearly identical. The crystal packing of the title compound involves two types of intermolecular hydrogen bond. 相似文献
11.
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
12.
Jana Sopkov‐de Oliveira Santos Alexandre Bouillon Jean‐Charles Lancelot Sylvain Rault 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o582-o584
The crystal structure of the first reported non‐substituted N‐methyldioxazaborocane confirms that the presence of a methyl group attached to the N atom introduces an NB bond length that is longer than that in a simple dioxazaborocane ring. The presence of more N atoms in the vicinity of the B atom in the title compound [systematic name: 6a‐(6‐bromopyridin‐2‐yl)‐3a‐methyl‐2,3,4,5‐tetrahydro‐1,6‐dioxa‐3a‐aza‐6a‐borapentalene], C10H14BBrN2O2, does not modify significantly any structural parameter in the dioxazaborocane ring. On the other hand, a small asymmetry appears in the bond angles of the pyridine C atom next to the B atom. 相似文献
13.
Xia Li Ying‐Quan Zou Bo Zheng Huai‐Ming Hu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):m197-m199
The title compound, [Eu(C9H9O4)3]n or [Eu(2,3‐DMOBA)3]n, where 2,3‐DMOBA is 2,3‐dimethoxybenzoate, is an infinite one‐dimensional non‐centrosymmetric coordination polymer. The unique EuIII atom is bridged by six carboxylate ligands; it is ennea‐coordinated and has a distorted tricapped trigonal prism geometry. The Eu—O distances are in the range 2.315 (3)–2.959 (5) Å. 相似文献
14.
Guo‐Wu Rao Wei‐Xiao Hu 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):o281-o282
The title compound, C22H24N4O4, was prepared from propyl chloroformate and 3,6‐diphenyl‐1,2‐dihydro‐s‐tetrazine. This reaction yields the title compound rather than dipropyl 3,6‐diphenyl‐1,4‐dihydro‐s‐tetrazine‐1,4‐dicarboxylate. The 2,3‐diazabutadiene group in the central six‐membered ring is not planar; the C=N double‐bond length is 1.285 (2) Å, and the average N—N single‐bond length is 1.401 (3) Å, indicating a lack of conjugation. The ring has a twist conformation, in which adjacent N atoms lie 0.3268 (17) Å from the plane of the ring. The molecule has twofold crystallographic symmetry. 相似文献
15.
Swastik Mondal Monika Mukherjee Arnab Roy Debabrata Mukherjee 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o132-o134
In the title tricyclic keto‐diester, C20H24O6, a potential intermediate in the synthesis of bioactive podocarpic acid, the outer cyclohexane ring (in a chair conformation) is cis fused to the central cyclohexanone ring (in a half‐chair conformation). The conformational analysis of the compound, investigated by semi‐empirical quantum mechanical AM1 calculations, shows a good agreement with the X‐ray structure, except for the orientation of the methyl, methoxyphenyl and methoxycarbonyl substituents. 相似文献
16.
Ying‐Hong Lu Hoong‐Kun Fun Suchada Chantrapromma Ibrahim Abdul Razak Zhen Shen Jing‐Lin Zuo Xiao‐Zeng You 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):911-913
The title dinuclear di‐μ‐oxo‐bis[(1,4,8,11‐tetraazacyclotetradecane‐κ4N)manganese(III,IV)] diperchlorate nitrate complex, [Mn2O2(C10H24N4)2](ClO4)2(NO3) or [(cyclam)MnO]2(ClO4)2(NO3), was self‐assembled by the reaction of Mn2+ with 1,4,8,11‐tetraazacyclotetradecane in aqueous media. The structure of this compound consists of a centrosymmetric binuclear [(cyclam)MnO]3+ unit, two perchlorate anions and one nitrate anion. While the low‐temperature electron paramagnetic resonance spectra show a typical 16‐line signal for a di‐μ‐oxo MnIII/MnIV dimer, the magnetic susceptibility studies also confirm a characteristic antiferromagnetic coupling between the electronic spins of the MnIV and MnIII ions. 相似文献
17.
Betül en Serap Alp Gülsiye
ztürk Muhittin Aygün Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o223-o224
Molecules of the title compound, C24H19NO6S, adopt the Z configuration and have a distorted tetrahedral geometry around the S atom. The oxazolone, 2‐phenyl and methoxyphenyl rings are approximately coplanar. The C atom between the methoxyphenyl and oxazolone rings displays a distorted trigonal bonding geometry. Pairs of molecules are linked into dimers through weak C—H⋯O hydrogen bonds. 相似文献
18.
J.‐C. Wallet Elies Molins Carlos Miravitlles 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):e414-e414
Crystals of a second triclinic modification of the title compound, 2‐(2,6‐dimethoxyphenyl)‐4H‐1‐benzopyran‐4‐one, C17H14O4, were grown from a hot cyclohexane solution. In the molecule, the O—C—C—C torsion angle at the junction between the benzopyran and phenyl rings is 67.6 (3)°. 相似文献
19.
Lian‐Qing Chen Chu‐Luo Yang Jin‐Gui Qin 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):m513-m515
In the title compound, [Ir2(C16H13N2O3)4Cl2]·2CH2Cl2, the two Ir atoms, 3.7075 (6) Å apart, are bridged by two Cl atoms which straddle a twofold axis of rotation through the two Ir atoms. Each Ir centre resides in a distorted octahedral environment completed by two chelating 2,5‐bis(4‐methoxyphenyl)‐1,3,4‐oxadiazole ligands, with trans‐N—N and cis‐C—C dispositions. In the stacking structure, there are two types of hydrogen bonds, involving the methoxy substitutent, an N atom of the oxadiazole ring and the dichloromethane solvent molecules. 相似文献
20.
Federico Jimnez‐Cruz Raúl Cetina‐Rosado Simn Hernndez‐Ortega Rubn Alfredo Toscano Hctor Ríos‐Olivares 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):868-869
The title compound, 2,9‐bis(3‐nitrophenyl)‐1‐azatricyclo[3.3.1.13,7]decan‐4‐one, C21H19N3O5, has a tricyclic structure. The torsion angles may be used to describe the relationship of the carbonyl group to the adjacent faces, whereby it is seen that the angles on the face of the arylpiperidinone side [122.0 (3) and ?122.0 (3)°] are greater than those on the cyclohexanone side [?119.8 (4) and 119.9 (4)°]. Although these differences may explain a facial selectivity during nucleophilic addition to the carbonyl group, the presence of the aryl rings is probably also important. 相似文献