N-(苯并噻唑-2-基)-3-氯苯甲酰胺的合成和 X 射线结构

International Research Journal of Pure and Applied Chemistry Pub Date : 2024-06-11 DOI:10.9734/irjpac/2024/v25i4861

Salif Sow, F. Odame, Ngoné Diouf, I. Thiam, O. Diouf, J. Ellena, Zenixole R. Tshentu, M. Gaye

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引用次数: 0

摘要

3-chloro-benzoyl chloride 和 2-aminobenzothiazole 在硫氰酸钾存在下反应生成淡黄色固体 C15H10ClN3OS2（1）。1 与氯化钴反应生成淡黄色固体 C14H11ClN2O2S（2），该晶体适于 X 射线分析。通过元素分析、傅立叶变换红外光谱和熔点测量对化合物进行了表征。化合物 2 在三linic 空间群 Pī 中结晶，参数如下：a = 7.0299(2) Å b = 7.0466(2) Å c = 14.5490(2) Å a = 103.844(3)° β = 92.929(2)° g = 107.291(3) V = 662.33(4) Å3 Z= 2 R1 = 0.030 wR2 = 0.034。(2) 的不对称单元由一个分子组成，其中 3-氯苯基和苯并噻唑-2-基形成 6.417(4)°的二面角。分子内形成 O-H-O 氢键。在晶体中，O-H--N 和 N-H-O 氢键将分子连接起来，形成平行于 ac 平面的层。

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Syntheses and X-ray Structure of N-(Benzothiazol-2-yl)-3-chlorobenzamide

The reaction of 3-chloro-benzoyl chloride and 2-aminobenzothiazole in the presence of potassium thiocyanate yielded a yellowish solid C15H10ClN3OS2 (1). Reaction of 1 with cobalt chloride yield a yellowish solid C14H11ClN2O2S (2) which gives crystal suitable for X-ray analyses. The compounds were characterized by elemental analyses FTIR spectroscopy and melting point measurement. Compound 2 crystallizes in the triclinic space group Pī with the following parameters: a = 7.0299(2) Å b = 7.0466(2) Å c = 14.5490(2) Å a = 103.844(3)° β = 92.929(2)° g = 107.291(3) V = 662.33(4) Å3 Z= 2 R1 = 0.030 wR2 = 0.034. The asymmetric unit of (2) consists of one molecule in which the 3-chloro phenyl moiety and the benzothiazole-2-yl moiety form a dihedral angle of 6.417(4)°. An intramolecular O—H···O hydrogen bond occurs. In the crystal O—H···N and N—H···O hydrogen bonds link the molecules forming layers parallel to the ac plane.

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International Research Journal of Pure and Applied Chemistry

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