Harrison William T A, Yathirajan H S, Anilkumar H G
Department of Chemistry, University of Aberdeen, Meston Walk, Aberdeen AB24 3UE, Scotland.
Acta Crystallogr C. 2006 May;62(Pt 5):o240-2. doi: 10.1107/S0108270106008651. Epub 2006 Apr 13.
The title compound (systematic name: 10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide), C15H14N2O, is shown to crystallize as an orthorhombic polymorph to complement the known monoclinic form. The molecular conformations of both forms are very similar, involving a bent conformation for the seven-membered azepine ring and an overall ;butterfly' shape. The molecules assemble into chains by way of N-H...O bonds and N-H...pi interactions in both crystal modifications. The two polymorphs appear to form due to different van der Waals interactions between the layer-like sheets of molecules.
标题化合物(系统名称:10,11-二氢-5H-二苯并[b,f]氮杂卓-5-甲酰胺),C15H14N2O,被证明以正交晶系多晶型物形式结晶,以补充已知的单斜晶系形式。两种形式的分子构象非常相似,七元氮杂卓环呈弯曲构象,整体呈“蝴蝶”形状。在两种晶体变体中,分子通过N-H...O键和N-H...π相互作用组装成链。两种多晶型物的形成似乎是由于分子层状片之间不同的范德华相互作用。