Nesterov Vladimir N
Department of Natural Sciences, New Mexico Highlands University, Las Vegas, NM 87701, USA.
Acta Crystallogr C. 2004 Nov;60(Pt 11):o806-9. doi: 10.1107/S0108270104022723. Epub 2004 Oct 22.
In the title compound 3,5-bis(4-methoxybenzylidene)-1-methyl-4-piperidone, C(22)H(23)NO(3), (I), the central heterocyclic ring adopts a flattened boat conformation, while in the related salt 3,5-bis(4-methoxybenzylidene)-1-methyl-4-oxopiperidinium chloride, C(22)H(24)NO(3)(+).Cl(-), (II), the ring exhibits a 'sofa' conformation in which the N atom deviates from the planar fragment. The pendant benzene rings are twisted from the heterocyclic ring planes in both molecules in the same direction, the range of dihedral angles between the ring planes being 24.5 (2)-32.7 (2) degrees . The dominant packing motif in (I) involves centrosymmetric dimers bound by weak intermolecular C-H...O hydrogen bonds. In (II), cations and anions are linked by strong N-H...Cl hydrogen bonds, while weak C-H...O and C-H...Cl hydrogen bonds link the cations and anions into a three-dimensional framework.
在标题化合物3,5-双（4-甲氧基亚苄基）-1-甲基-4-哌啶酮C₂₂H₂₃NO₃（I）中，中心杂环呈扁平船式构象，而在相关盐3,5-双（4-甲氧基亚苄基）-1-甲基-4-氧代哌啶鎓氯化物C₂₂H₂₄NO₃⁺·Cl⁻（II）中，该环呈“沙发”式构象，其中N原子偏离平面片段。两个分子中的悬垂苯环均以相同方向从杂环平面扭转，环平面之间的二面角范围为24.5（2）-32.7（2）°。（I）中的主要堆积模式涉及通过弱分子间C-H...O氢键结合的中心对称二聚体。在（II）中，阳离子和阴离子通过强N-H...Cl氢键相连，而弱C-H...O和C-H...Cl氢键将阳离子和阴离子连接成三维框架。
