Journal Article

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Acta crystallographica.Section E, Crystallographic communications

Acta Crystallogr.E.Crystallogr.Commun.

1-Jan

71

Pt 1

62

64

LR: 20150225; JID: 101648987; OID: NLM: PMC4331885; OTO: NOTNLM; 2015/01/01 [ecollection]; 2014/11/09 [received]; 2014/12/01 [accepted]; epublish

England

2056-9890

PMID: 25705452

eng

Journal Article

10.1107/S2056989014026425 [doi]

Unknown(0)

25705452

The asymmetric unit of the title compound, C18H18N2O2S.0.375H2O, has two independent organic mol-ecules (A and B) and 3/4 of a water mol-ecule distributed over three sites. In mol-ecule A, the 1,3-thia-zine ring is in a boat conformation, with the C atoms at the 2- and 5-positions out of the plane. The angle between the two phenyl rings is 51.70 (12) degrees . In mol-ecule B, the thia-zine ring is in a half-chair conformation, with the S atom forming the back of the half-chair. The angle between the two phenyl rings is 84.44 (14) degrees . The A mol-ecule features an intra-molecular N-Hcdots, three dots, centeredO hydrogen bond, which closes an S(5) ring motif. In the crystal, the corresponding N-H grouping of the B mol-ecule participates in an inter-molecular hydrogen bond to the A mol-ecule. The A mol-ecule participates in a C-Hcdots, three dots, centeredO inter-action back to the B mol-ecule, whilst the B mol-ecule features an intra-molecular C-Hcdots, three dots, centeredO link, which generates an S(10) loop.

Yennawar,H.P., Singh,H., Silverberg,L.J.

Department of Chemistry, Pennsylvania State University, University Park, PA 16802, USA.; Pennsylvania State University, Schuylkill Campus, 200 University Drive, Schuylkill Haven, PA 17972, USA.; Pennsylvania State University, Schuylkill Campus, 200 Univer

20150101

PMC4331885

http://vp9py7xf3h.search.serialssolutions.com/?charset=utf-8&pmid=25705452

2015