Journal Article

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Acta crystallographica.Section E, Structure reports online

Acta Crystallogr.Sect.E.Struct.Rep.Online

1-Feb

68

Pt 2

o460

1

LR: 20130227; JID: 101089178; OID: NLM: PMC3275214; 2011/12/02 [received]; 2012/01/07 [accepted]; 2012/01/18 [epublish]; ppublish

United States

1600-5368; 1600-5368

PMID: 22347070

eng

Journal Article

10.1107/S1600536812000712 [doi]

Unknown(0)

22347070

In the title compound, C(29)H(27)N(3)O(4)S.0.5C(6)H(14), the heterocyclic thia-zine ring adopts a half-chair conformation with the S and N atoms displaced by 0.500 (5) and 0.229 (5) A, respectively, on opposite sides from the mean plane formed by the remaining ring atoms. The mean planes of the pyrazole ring and the benzene ring bonded to it form a dihedral angle of 35.76 (11) degrees and an intra-molecular O-Hcdots, three dots, centeredO hydrogen bond ocurs. The crystal structure features O-Hcdots, three dots, centeredO and C-Hcdots, three dots, centeredO hydrogen bonds. There is a half-mol-ecule of hexane in the asymmetric unit lying about an inversion center. It is disordered over two sets of sites with occupancy factors 0.590 (9) and 0.410 (9).

Bukhari,M.H., Ahmad,M., Siddiqui,H.L., Gul,S., Parvez,M.

20120118

PMC3275214

http://vp9py7xf3h.search.serialssolutions.com/?charset=utf-8&pmid=22347070

2012