Analytical Sciences: X-ray Structure Analysis Online
Online ISSN : 1348-2238
ISSN-L : 1348-2238
Part 10
Crystal Structure of 1-Thiocarbamoyl-3,5-di(2-thienyl)-2-pyrazoline
Yavuz KÖYSALSamil ISIKZuhal ÖZDEMIRA. Altan BILGIN
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JOURNAL FREE ACCESS

2007 Volume 23 Pages x177-x178

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Abstract
The title compounds, 1-thiocarbamoyl-3,5-di(2-thienyl)-2-pyrazoline, C12H11N3S3, crystallizes in the monoclinic space group C2/c with the following unit-cell parameters: a = 23.6982(18)Å, b = 7.9154(6)Å, c = 16.7132(14)Å, β = 124.719(6)° and V = 2576.9(4)Å3. The crystal structure was solved with a final R = 0.0297 using 3030 independent reflections. The molecule is composed of a pyrazoline moiety containing two thiophene groups, which are oriented in opposite directions. The pyrazoline rings adopt an envelope conformation, and the N atom is involved in an intermolecular N-H…N (pyrazoline) hydrogen bond. Also, the crystal structures are stabilized by intra and intermolecular hydrogen bonds, as well as C-H…π stacking interactions.
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© 2007 by The Japan Society for Analytical Chemistry
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