Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 693, Issue 1-3, Pages 205-209Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2004.01.032
Keywords
X-ray crystallography; 2-thioureidobenzoxazole; supramolecular synthon; crystal packing; N-H center dot center dot center dot S hydrogen bonds
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2-Thioureidobenzoxazole (1) was synthesized using 5-amino-3H-1,2,4-dithiazole-3-thione and 2-aminophenol and characterized by X-ray crystallography. The molecule of 1 is essentially planar due to pi conjugation and an intramolecular N-(HN)-N-... hydrogen bond also contributes towards its planarity. The crystal lattice is built up of stacks of dimers of 1 generated by N-(HS)-S-... hydrogen bonds. The supramolecular assembly is dictated by weaker N-(HS)-S-... interactions to the exclusion of more stronger N-(HX)-X-... (X = O, N) hydrogen bonds which are normally expected. (C) 2004 Elsevier B.V. All rights reserved.
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