Crystal structure of (R)-60-bromo-3,3-dimethyl-30,40 -dihydro-20H-spiro[cyclohexane-1,30-1,2,4-benzothiadiazine] 10,10-dioxide

Shinoj Kumar, P. P. and Suchetan, P. A. and Sreenivasa, S. and Naveen, S. and Lokanath, N. K. and Aruna Kumar, D. B. (2014) Crystal structure of (R)-60-bromo-3,3-dimethyl-30,40 -dihydro-20H-spiro[cyclohexane-1,30-1,2,4-benzothiadiazine] 10,10-dioxide. Acta Crystallographica Section E: Structure Reports Online, 70 (11). pp. 359-361.

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In the title compound, C14H19BrN2O2S, the 1,2,4-thiadiazinane ring adopts an envelope conformation with the N atom (attached to the sulfonyl group) as the flap, while the cyclohexane ring adopts a chair conformation. The mean plane of the cyclohexane ring is almost normal to the benzene ring and the mean plane of the 1,2,4-thiadiazinane ring, making dihedral angles of 70.4 (2) and 71.43 (19)°, respectively. Furthermore, the dihedral angle between the benzene ring and the mean plane of the 1,2,4-thiadiazinane ring is 4.91 (18)°. The molecular structure is stabilized by an intramolecular C - H�O hydrogen bond, which encloses an S(6) ring motif. In the crystal, molecules are linked by N - H�O hydrogen bonds into chains along 10-1, forming a C(6) graph-set motif. These chains are interconnected via C - H�� interactions, leading to chains along -101, so finally forming sheets parallel to (010).

Item Type: Article
Subjects: D Physical Science > Physics
Divisions: Department of > Institution of Excellence
Department of > Physics
Depositing User: Arshiya Kousar
Date Deposited: 19 Aug 2019 06:11
Last Modified: 19 Aug 2019 06:11

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