NDLI: N-(1,3-Thiazol-2-yl)-N′-[(thiophen-2-yl)carbonyl]thiourea hemihydrate

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N-(1,3-Thiazol-2-yl)-N′-[(thiophen-2-yl)carbonyl]thiourea hemihydrate

Content Provider	Semantic Scholar
Author	Singh, Durga Prasad Pratap, Seema Yildirim, Sema Öztürk Butcher, Raymond John
Copyright Year	2012
Abstract	The title compound, C9H7N3OS3·0.5H2O, crystallizes with two independent but similar mol-ecules in the asymmetric unit, both of which are linked by a water mol-ecule through O-H⋯N hydrogen bonds. In addition the water O atom is further linked by N-H⋯O hydrogen bonds to two additional main mol-ecules, forming a tetra-meric unit. These tetra-meric units then form infinite ribbons parallel to the ac plane.The dihedral angle between the thio-phenoyl and thia-zolyl rings is 12.15 (10) and 21.69 (11)° in mol-ecules A and B, respectively. The central thio-urea core makes dihedral angles of 5.77 (11) and 8.61 (9)°, respectively, with the thio--phen-oyl and thia-zolyl rings in mol-ecule A and 8.41 (10) and 13.43 (12)° in mol-ecule B. Each mol-ecule adopts a trans-cis geometry with respect to the position of thio-phenoyl and thia-zole groups relative to the S atom across the thio-urea C-N bonds. This geometry is stabilized by intra-molecular N-H⋯O hydrogen bonds.
Starting Page	o3295
Ending Page	o3295
Page Count	1
File Format	PDF HTM / HTML
Alternate Webpage(s)	http://ftp.ncbi.nlm.nih.gov/pub/pmc/fd/a5/e-68-o3295.PMC3588839.pdf
PubMed reference number	23468804v1
Alternate Webpage(s)	https://doi.org/10.1107/S160053681204500X
DOI	10.1107/S160053681204500X
Journal	Acta crystallographica. Section E, Structure reports online
Volume Number	68
Language	English
Access Restriction	Open
Subject Keyword	ACAA1 gene Aza-Thia Crown Compounds Blood urea nitrogen measurement DUOXA1 gene Hy-Phen Mole, unit of measurement Paroxetine Hydrochloride, Hemihydrate Ring device Thia
Content Type	Text
Resource Type	Article

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