3-chloro-N-(3-hydroxyphenyl)benzamide | 143214-41-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-chloro-N-(3-hydroxyphenyl)benzamide
• 英文别名: Benzamide, 3-chloro-N-(3-hydroxyphenyl)-
• CAS: 143214-41-9
• 化学式: C₁₃H₁₀ClNO₂
• 分子量: 247.681
• InChiKey: TZADWBIZCKCRAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-氯苯甲酸 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 3-chloro-N-(3-hydroxyphenyl)benzamide
  参考文献：
  名称：

  Analysis of intermolecular interactions involving halogens in substituted benzanilides

  摘要：

  Crystal structures of halogen-substituted benzanilides have been analyzed in terms of weak interactions involving halogens. The four compounds namely 3-fluoro-N-(3-hydroxyphenyl)benzamide, 3-chloro-N-(3-hydroxyphenyl)benzamide, 3-fluoro-N-(4-methylphenyl)benzamide and 3-chloro-N-(4-methylphenyl)benzamide crystallize in monoclinic symmetry. The packing modes in the crystalline lattice generate motifs via N-(HO)-O-... and O-(HO)-O-... hydrogen bonds in structures 1 and 2 and via N-(HO)-O-... hydrogen bond, weak C-H... F and (ClCl)-Cl-... interactions in structures 3 and 4. These structures when compared with the polymorphs of benzanilide show no orientational disorder and depict subtle conformational changes, which are directed by both strong hydrogen bonds and weak interactions involving halogens. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2004.03.011

文献信息

• Analysis of intermolecular interactions involving halogens in substituted benzanilides
  作者：D. Chopra、T.N. Guru Row

  DOI：10.1016/j.molstruc.2004.03.011

  日期：2005.1

  Crystal structures of halogen-substituted benzanilides have been analyzed in terms of weak interactions involving halogens. The four compounds namely 3-fluoro-N-(3-hydroxyphenyl)benzamide, 3-chloro-N-(3-hydroxyphenyl)benzamide, 3-fluoro-N-(4-methylphenyl)benzamide and 3-chloro-N-(4-methylphenyl)benzamide crystallize in monoclinic symmetry. The packing modes in the crystalline lattice generate motifs via N-(HO)-O-... and O-(HO)-O-... hydrogen bonds in structures 1 and 2 and via N-(HO)-O-... hydrogen bond, weak C-H... F and (ClCl)-Cl-... interactions in structures 3 and 4. These structures when compared with the polymorphs of benzanilide show no orientational disorder and depict subtle conformational changes, which are directed by both strong hydrogen bonds and weak interactions involving halogens. (C) 2004 Elsevier B.V. All rights reserved.