Crystal structure of N-[(1Z)-1-(3-methyl-3-phenylcyclobutyl)-2-thiomorpholin-4-ylethylidene] thiourea by U. Sari, I. Yilmaz, A. Cukurovali, K. Güven, and I. Aksoy

Crystal Research and Technology

Cryst. Res. Technol. 40, 723 (2005) - Abstract -

Crystal structure of N-[(1Z)-1-(3-methyl-3-phenylcyclobutyl)-2-thiomorpholin-4-ylethylidene] thiourea

U. Sari, I. Yilmaz*, A. Cukurovali*, K. Güven**, and I. Aksoy**

Department of Computer Technology, Faculty of Education, Kirikkale University, Yahsihan Campus, 71450 Kirikkale, Turkey
*Department of Chemistry, Faculty of Science and Arts, Firat University, Elazig, Turkey
**Department of Physics, Faculty of Science and Arts, Kirikkale University, Yahsihan Campus, 71450 Kirikkale, Turkey

Keywords	X-ray crystallography, crystal structure, thiosemicarbazone, biological activity
PACS	61.66.Hq
DOI	10.1002/crat.200410416

The crystal structure of N-[(1Z)-1-(3-methyl-3-phenylcyclobutyl)-2-thiomorpholin-4-ylethylidene] thiourea (C₁₈H₂₆N₄S₂) has been determined by X-ray crystallographic techniques. The compound crystallizes in the orthorhombic space group Pbca, with unit cell parameters: a = 15.692(3), b = 20.803(8), c = 11.979(6)Å, Z = 8, V = 3911(7)Å³. The crystal structure was solved by direct methods and refined by full-matrix least squares to a final R-value of 0.084 for 1447 observed reflections. In the thiosemicarbazide moiety, the S = C bond length is 1.656(6), N-C-N angle is 115.6(5)°. The crystal structure is stabilized by the intermolecular N-H...S hydrogen bonds.

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