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(1,2-苯并异恶唑-3-基)甲磺酰胺的结构:一种新型抗癫痫药物。

The structure of (1,2-benzisoxazol-3-yl)methanesulfonamide: a novel antiepileptic drug.

作者信息

Lisgarten J N, Palmer R A

机构信息

Department of Crystallography, Birkbeck College, University of London, England.

出版信息

Acta Crystallogr C. 1988 Nov 15;44 ( Pt 11):2013-6. doi: 10.1107/s0108270188008704.

Abstract

C8H8N2O3S, Mr = 212.54, monoclinic, P2(1)/a, a = 7.347 (9), b = 13.237 (4), c = 10.128 (8) A, beta = 108.916 (6) degree, V = 931.9 (1) A3, Z = 4, Dm = 1.52 (4), Dx = 1.514 g cm-3, lambda (Cu K alpha) = 1.54184 A, mu = 28.35 cm-1, F(000) = 440, room temperature, R = 0.040 for 1864 observed reflections. The sulfonamide N forms intermolecular hydrogen bonds with the benzisoxazole ring N and also with the O on the sulfonamide group. Centrosymmetrically related benzisoxazole ring pairs are pi bonded with a high degree of overlap.

摘要

C8H8N2O3S,Mr = 212.54,单斜晶系,P2(1)/a,a = 7.347 (9),b = 13.237 (4),c = 10.128 (8) Å,β = 108.916 (6)°,V = 931.9 (1) Å3,Z = 4,Dm = 1.52 (4),Dx = 1.514 g cm-3,λ(Cu Kα) = 1.54184 Å,μ = 28.35 cm-1,F(000) = 440,室温,对于1864个观测反射,R = 0.040。磺酰胺氮与苯并异恶唑环氮以及磺酰胺基团上的氧形成分子间氢键。中心对称相关的苯并异恶唑环对通过高度重叠的π键相连。

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