首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure and Hirshfeld surface analysis of 4-(26-di­chloro­benz­yl)-6-phenyl­pyridazin-3(2H)-one
【2h】

Crystal structure and Hirshfeld surface analysis of 4-(26-di­chloro­benz­yl)-6-phenyl­pyridazin-3(2H)-one

机译:4-(26-二­氯­苯甲基)-6-苯基­哒嗪-3(2H)-one 1的晶体结构和Hirshfeld表面分析

代理获取
本网站仅为用户提供外文OA文献查询和代理获取服务,本网站没有原文。下单后我们将采用程序或人工为您竭诚获取高质量的原文,但由于OA文献来源多样且变更频繁,仍可能出现获取不到、文献不完整或与标题不符等情况,如果获取不到我们将提供退款服务。请知悉。

摘要

The asymmetric unit of the title compound, C17H12Cl2N2O, contains one independent mol­ecule. The mol­ecule is not planar, the phenyl and pyridazine rings are twisted with respect to each other, making a dihedral angle of 29.96 (2)° and the di­chloro­phenyl ring is nearly perpendicular to the pyridazine ring, with a dihedral angle of 82.38 (11)°. In the crystal, pairs of N—H⋯O hydrogen bonds link the mol­ecules to form inversion dimers with an R 2 2(8) ring motif. The dimers are linked by C—H⋯O inter­actions, forming layers parallel to the bc plane. The inter­molecular inter­actions were investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots, and the mol­ecular electrostatic potential surface was also analysed. The Hirshfeld surface analysis of the title compound suggests that the most significant contributions to the crystal packing are by H⋯H (31.4%), Cl⋯H/H⋯Cl (19.9%) and C⋯H/H⋯C (19%) contacts.
机译:标题化合物C17H12Cl2N2O的不对称单元包含一个独立的分子。分子不是平面的,苯基和哒嗪环彼此扭曲,二面角为29.96(2)°,二氯苯基环几乎垂直于哒嗪环,二面角为82.38(11) °。在晶体中,成对的N-H = O氢键连接分子以形成具有R 2 2 (8)环基序的倒置二聚体。二聚体通过CHOH相互作用连接,形成平行于bc平面的层。使用Hirshfeld表面分析和二维指纹图研究了分子间的相互作用,还分析了分子静电势表面。标题化合物的Hirshfeld表面分析表明,对晶体堆积的最大贡献是H⋯H(31.4%),Cl⋯H / H⋯Cl(19.9%)和C⋯H / H / C(19%) )联系人。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
代理获取

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号