CRYSTAL STRUCTURES OF TWO 4-PHENYLBENZOPHENONES
S. Zhang1, H. Xiang1, G. Rao2, W. Hu2
1Zhejiang Chinese Medical University, Hangzhou, P. R. China
medchem@zcmu.edu.cn
2Zhejiang University of Technology, Hangzhou, P. R. China
Ключевые слова: 4-phenylbenzophenone, [1,1'-biphenyl]-4-yl(2-chlorophenyl)methanone, [1,1'-biphenyl]-4-yl(3-methoxyphenyl)methanone, crystal structure, single crystal XRD, torsion angle, hydrogen bond, ПЂ—ПЂ contact
Страницы: 733-740
Подраздел: КРИСТАЛЛОХИМИЯ
Аннотация
Two 4-phenylbenzophenones (I) and (II) are synthesized via Friedel—Crafts reactions. There are four crystallographically independent molecules with different conformations in the crystal structure of [1,1'-biphenyl]-4-yl(2-chlorophenyl)methanone (I). Crystals are orthorhombic, Pca21, C19H13ClO, a = 13.699(3) Å, b = 8.9385(17) Å, c = 46.836(9) Å; V = 5735(2) Å3, Z = 16, dx = 1.356 g/cm3. Torsion angles between the biphenyl rings are between 28.5° and 30.8°. Several C—H…O and C—H…Cl hydrogen bonds and weak π—π stacking contacts consolidate the crystal. Crystals of [1,1'-biphenyl]-4-yl(3-methoxyphenyl)methanone (II) are orthorhombic, Pbca, C20H16O2, a = 7.8179(15) Å, b = 16.003(3) Å, c = 23.345(5) Å; V = 2920.7(10) Å3, Z = 8, dx = 1.311 g/cm3. The torsion angle between the biphenyl rings is 28.1° and C—H…O hydrogen bonds are observed in compound (II).
|
