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1,5-Dimethyl-2-phenyl-1H-pyrazol-3(2H)-one–4,4′-(propane-2,2-diyl)bis[1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one] (1/1)
Krzysztof Lyczko
Acta Crystallographica Section E , 2013, DOI: 10.1107/s160053681205091x
Abstract: The asymmetric unit of the title compound, C11H12N2O·C25H28N4O2, contains two different molecules. The smaller is known as antipyrine [systematic name: 1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one] and the larger is built up from two antypirine molecules which are connected through a C atom of the pyrazolone ring to a central propanyl part [systematic name: 4,4′-(propane-2,2-diyl)bis[1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one]. Intramolecular C—H...O hydrogen bonds occur in the latter molecule. In the crystal, C—H...O hydrogen bonds link the molecules into a two-dimensional network parallel to (001).
(E)-4-Methoxy-N′-(3,4,5-trimethoxybenzylidene)benzohydrazide
Hoong-Kun Fun,Premrudee Promdet,Jirapa Horkaew,Suchada Chantrapromma
Acta Crystallographica Section E , 2012, DOI: 10.1107/s1600536812003534
Abstract: In the asymmetric unit of the title compound, C18H20N2O5, there are two crystallographic independent molecules. Both molecules are twisted; the dihedral angle between the two benzene rings is 7.2 (5)° in one molecule, whereas it is 85.9 (4)° in the other. Of the three methoxy groups in the 3,4,5-trimethoxyphenyl unit, two methoxy groups at meta positions are approximately coplanar with the benzene plane [C—O—C—C torsion angles of 2.3 (13)–4.8 (11)°], but the other methoxy, at the para position, is out of the plane [C—O—C—C of 72.8 (9)° in one molecule and 77.5 (9)° in the other]. In the crystal, molecules are linked by N—H...O hydrogen bonds and weak C—H...O interactions into tapes along the b axis. C—H...π interactions are also present.
(2E,5E)-2,5-Bis(3,4,5-trimethoxybenzylidene)cyclopentanone  [cached]
Yi-Feng Sun,Yang Liu,Feng-Yu Zhang,Hong-Ji Chen
Acta Crystallographica Section E , 2008, DOI: 10.1107/s1600536808029474
Abstract: The title compound, C25H28O7, was prepared by the base-catalysed reaction of 3,4,5-trimethoxybenzaldehyde with cyclopentanone. The molecule has crystallographic twofold rotation symmetry and adopts an E-configuration about the central olefinic bonds. The two benzene rings and the central cyclopentanone ring are almost coplanar [dihedral angle = 4.7 (2)°].
2-Phenyl-5-(trifluoromethyl)pyrazol-3(2H)-one
Hugo Gallardo,Edivandro Girotto,Adailton J. Bortoluzzi,Geovana G. Terra
Acta Crystallographica Section E , 2009, DOI: 10.1107/s1600536809029419
Abstract: The title compound, C10H7F3N2O, is an analogue of pyrazolone derivatives with potential analgesic and anti-inflammatory properties. Its molecular structure consists of phenyl and pyrazol-3(2H)-one units with a dihedral angle between the mean planes of the rings of 33.0 (1)°. The crystal structure is stabilized by an intermolecular hydrogen bond between the N—H group and the carbonyl O atom of the pyrazol-3(2H)-one ring which links the molecules into supramolecular C(5) chains along [001] and by weak π–π stacking interactions between the phenyl rings [centroid-centroid distance = 3.881 (2) ]. The F atoms are disordered over two positions with refined site occupancies of 0.768(11) and 0.232(11).
1,5-Dimethyl-4-[(E)-3-phenoxybenzylideneamino]-2-phenyl-1H-pyrazol-3(2H)-one  [cached]
Yi-Feng Sun,Feng-Yu Zhang,Yang Liu,Zi-Ying Wang
Acta Crystallographica Section E , 2008, DOI: 10.1107/s1600536808024409
Abstract: The title Schiff base, C24H21N3O2, adopts an E configuration with respect to the central C=N bond. The pyrazole ring and the central benzene ring attached to the imino group are almost coplanar. The phenyl ring attached to the pyrazole unit is twisted by 39.3 (2)° with respect to the pyrazole ring plane. The phenoxy benzene ring makes a dihedral angle of 79.8 (2)° with the central benzene ring.
4-[(E)-(2,4,5-Trimethoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Hoong-Kun Fun,Madhukar Hemamalini,Abdullah M. Asiri,Salman A. Khan
Acta Crystallographica Section E , 2010, DOI: 10.1107/s1600536810021586
Abstract: The title compound, C21H23N3O4, adopts an E configuration about the central C=N double bond and the pyrazolone ring is almost planar, with a maximum deviation of 0.042 (1) . The central pyrazolone ring makes dihedral angles of 51.96 (5) and 3.82 (5)° with the attached phenyl and the trimethoxy-substituted benzene rings, respectively. The dihedral angle between the phenyl ring and the trimethoxy-substituted benzene ring is 50.19 (5)° and an intramolecular C—H...O hydrogen bond generates an S(6) ring motif. The crystal structure is stabilized by intermolecular C—H...O and C—H...N hydrogen bonds.
2-(1,5-Diphenyl-1H-pyrazol-3-yloxy)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone  [cached]
Yi Li,Yuan-Yuan Liu,Xiao-Hui Xiong,Ping Wei
Acta Crystallographica Section E , 2012, DOI: 10.1107/s1600536812029959
Abstract: The title compound, C20H17N3O2S2, was synthesized by the reaction of 2-(1,5-diphenyl-1H-pyrazol-3-yloxy)acetic acid and thiazolidine-2-thione. The C-linked benzene ring, N-linked benzene ring and thiazolidine-2-thione ring are twisted 31.33 (2), 62.87 (1) and 82.71 (2)°, respectively, from the plane of the bridging 1H-pyrazole ring. The phenyl rings are oriented at a dihedral angle of 72.16 (2)°.
1,5-Dimethyl-4-(1-methyl-3-oxo-3-phenylprop-1-enylamino)-2-phenyl-1H-pyrazol-3(2H)-one  [cached]
Hualing Zhu,Zhan Wang,Junjie Ren,Miao Zhang
Acta Crystallographica Section E , 2011, DOI: 10.1107/s1600536811021945
Abstract: In the title compound, C21H21N3O2, an intramolecular N—H...O interaction generates an S(6) ring, which stablizes the enamine–keto tautomer. The S(6) ring makes dihedral angles of 33.07 (7), 56.50 (8) and 38.59 (8)°, respectively, with the benzoylacetone benzene ring and the antipyrine pyrazole and benzene rings.
(E)-Methyl N′-(3,4,5-trimethoxybenzylidene)hydrazinecarboxylate  [cached]
Lu-Ping Lv,Jian-Wu Xie,Wen-Bo Yu,Wei-Wei Li
Acta Crystallographica Section E , 2008, DOI: 10.1107/s1600536808031590
Abstract: The molecule of the title compound, C12H16N2O5, adopts a trans configuration with respect to the C=N double bond. The dihedral angle between the benzene and hydrazinecarboxylic acid methyl ester planes is 12.55 (7)°. The molecules are linked into a chain along [001] by intermolecular N—H...O hydrogen bonds, and the chains are cross-linked into a two-dimensional zigzag structure by C—H...O hydrogen bonds.
(E)-Ethyl N′-(3,4,5-trimethoxybenzylidene)hydrazinecarboxylate  [cached]
Lu-Ping Lv,Xiao-Ming Ding,Wen-Bo Yu,Wei-Wei Li
Acta Crystallographica Section E , 2008, DOI: 10.1107/s1600536808033461
Abstract: The molecule of the title compound, C13H18N2O5, adopts a trans configuration with respect to the C=N bond. The dihedral angle between the benzene ring and the hydrazinecarboxylic acid plane is 49.75 (5)° and an intramolecular C—H...O interaction occurs. In the crystal structure, the molecules are linked into a chain along [010] by N—H...O hydrogen bonds, and a C—H...π contact further stabilizes the structure.
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