Abstract
In the title compound, C11H9BrN4S, the 1,2,4-triazole ring is essentially planar (r.m.s. deviation = 0.020 Å) and makes a dihedral angle of 29.1 (5)° with the bromobenzene ring. The 3,6-dihydro-1,3,4-thiadiazine ring adopts a twist-boat conformation. In the crystal, molecules are linked by C—H⋯N interactions into sheets lying parallel to the (010) plane. The same N atom accepts two such hydrogen bonds.
Highlights
Molecules are linked by C—H N
R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger
Summary
Hoong-Kun Fun,a*‡ Ching Kheng Quah,a§ Hatem A. USM, Penang, Malaysia, and bDepartment of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, PO Box 2457, Riyadh 11451, Saudi Arabia. R factor = 0.057; wR factor = 0.152; data-to-parameter ratio = 14.0. C11H9BrN4S, the 1,2,4-triazole ring is essentially planar (r.m.s. deviation = 0.020 Å) and makes a dihedral angle of 29.1 (5) with the bromobenzene ring. The. 3,6-dihydro-1,3,4-thiadiazine ring adopts a twist-boat conformation. Molecules are linked by C—H N interactions into sheets lying parallel to the (010) plane. The same N atom accepts two such hydrogen bonds
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