首页> 外文OA文献 >2-{[3-Methyl-4-(2,2,2-trifluoro­eth­oxy)pyridin-2-yl]methyl­sulfan­yl}-1H-benzimidazole monohydrate
【2h】

2-{[3-Methyl-4-(2,2,2-trifluoro­eth­oxy)pyridin-2-yl]methyl­sulfan­yl}-1H-benzimidazole monohydrate

机译:2-{[3-甲基-4-(2,2,2-三氟乙氧基)吡啶-2-基]甲基­硫基} -1H-苯并咪唑一水合物

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, C16H14F3N3OS·H2O, contains two independent mol­ecules (A and B) and two water mol­ecules, one of which is disordered over two positions in a 0.790 (8):0.210 (8) ratio. The mol­ecular conformations are close, the benzimidazole mean plane and pyridine ring forming dihedral angles of 1.8 (3) and 0.1 (2)° in mol­ecules A and B, respectively. The water mol­ecules are involved in formation of two independent hydrogen-bonded chains via N—H⋯O and O—H⋯N hydrogen bonds. Chains propagating along the a axis are formed by mol­ecule A and one independent water mol­ecule, while chains propagating along the b axis are formed by mol­ecule B and the other independent water mol­ecule. The crystal packing exhibits π–π inter­actions, as indicated by short distances of 3.607 (3) and 3.701 (3) Å between the centroids of the imidazole and pyridine rings of neighbouring mol­ecules.
机译:标题化合物的不对称单元C16H14F3N3OS·H2O包含两个独立的分子(A和B)和两个水分子,其中一个以0.790 positions(8):0.210(8)的比率在两个位置无序排列。分子构型接近,在分子A和B中,苯并咪唑平均平面和吡啶环形成的二面角分别为1.8°(3)和0.1°(2)°。水分子通过NH-O和OH-N氢键参与两个独立的氢键链的形成。沿a轴传播的链是由分子A和一个独立的水分子形成的,而沿b轴传播的链是由分子B和另一个独立的水分子形成的。晶体堆积表现出π-π相互作用,如咪唑的质心和相邻分子的吡啶环的质心之间的短距离为3.607(3)和3.701(3)Å所示。

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