Crystal structure of Brinzolamide: a carbonic anhydrase inhibitor

Acta Crystallographica Section E: Crystallographic Communications

Zheng, H.¹  Lou, B.¹ 

[1] Department of Chemistry and Chemical Engineering, Minjiang University, Fuzhou 350108, People's Republic of China

关键词: CRYSTAL STRUCTURE;    BRINZOLAMIDE;    CARBONIC ANHYDRASE INHIBITOR;    SULFONAMIDE;    THIAZINE;    ABSOLUTE CONFIGURATION;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989016006022

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In crystal structure of the title compound, C12H21N3O5S3 [systematic name: (R)-4-ethyl­amino-2-(3-meth­oxy­prop­yl)-3,4-di­hydro-2H-thieno[3,2-e][1,2]thia­zine-6-sulfonamide 1,1-dioxide], there exist three kinds of hydrogen-bonding inter­actions. The sulfonamide group is involved in hydrogen bonding with the secondary amine and the meth­oxy O atom, resulting in the formation of layers parallel to the bc plane. The layers are linked by an N—H⋯O hydrogen bond involving a sulfonamide O atom as acceptor and the secondary amine H atom as donor, which gives rise to the formation of a unique bilayer structure. The absolute structure of the mol­ecule in the crystal was determined by resonant scattering [Flack parameter = 0.01 (4)].

【 授权许可】

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