In:
Acta Crystallographica Section E Structure Reports Online, International Union of Crystallography (IUCr), Vol. 70, No. 11 ( 2014-11-01), p. 359-361
Abstract:
In the title compound, C 14 H 19 BrN 2 O 2 S, 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...π interactions, leading to chains along [-101], so finally forming sheets parallel to (010).
Type of Medium:
Online Resource
ISSN:
1600-5368
DOI:
10.1107/S1600536814022417
DOI:
10.1107/S1600536814022417/su2797sup1.cif
DOI:
10.1107/S1600536814022417/su27971sup2.hkl
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2014
detail.hit.zdb_id:
2843762-7
detail.hit.zdb_id:
2041947-8
Permalink