3-[3-(2-氟苯甲酰基)硫代脲基]丙酸
3-[3-(2-Fluoro-benzo-yl)thio-ureido]propionic acid.
作者信息
Ngah Nurziana, Mohamed Nor Azanita, Yamin Bohari M, Mohd Zaki Hamizah
机构信息
Kulliyyah of Science, International Islamic University Malaysia, Bandar Indera Mahkota, 25200 Kuantan, Pahang, Malaysia.
School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, UKM 43600 Bangi Selangor, Malaysia.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 May 24;70(Pt 6):o705. doi: 10.1107/S1600536814011404. eCollection 2014 Jun 1.
In the title compound, C10H11FN3O3S, the 2-fluoro-benzoyl and proponic acid groups maintain a trans-cis conformation with respect to the thiono C=S bond across their C-N bonds. The propionic acid group adopts an anti conformation about the C-C bond, with an N-C-C-C torsion angle of 173.8 (2)°. The amino groups are involved in the formation of intra-molecular N-H⋯O and N-H⋯F hydrogen bonds. In the crystal, pairs of O-H⋯O hydrogen bonds link mol-ecules into inversion dimers.
在标题化合物C₁₀H₁₁FN₃O₃S中，2-氟苯甲酰基和丙酸基团相对于硫羰基C=S键，通过它们的C-N键保持反式-顺式构象。丙酸基团围绕C-C键采取反式构象，N-C-C-C扭转角为173.8 (2)°。氨基参与形成分子内N-H⋯O和N-H⋯F氢键。在晶体中，O-H⋯O氢键对将分子连接成反演二聚体。
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