Crystal structures of two hydrazinecarbothioamide derivatives : ( E )-N-ethyl-2-[ ( 4-oxo-4 H-chromen-3-yl ) methylidene ] hydrazinecarbothioamide hemi-hydrate and ( E )-2-[ ( 4-chloro-2 H-chromen-3-yl )-methylidene ]-N-phenylhydrazinecarbothioamide

Content Provider	Semantic Scholar
Author	Gangadharan, Rajeswari Haribabu, Jebiti Karvembub, Ramasamy
Copyright Year	2015
Abstract	The title compounds, C13H13N3O2S 0.5H2O, (I), and C17H14ClN3OS, (II), are hydrazinecarbothioamide derivatives. Compound (I) crystallizes with two independent molecules (A and B) and a water molecule of crystallization in the asymmetric unit. The chromene moiety is essentially planar in molecules A and B, with maximum deviations of 0.028 (3) and 0.016 (3) Å, respectively, for the carbonyl C atoms. In (II), the pyran ring of the chromene moiety adopts a screw-boat conformation and the phenyl ring is inclined by 61.18 (9) to its mean plane. In the crystal of (I), bifurcated N—H O and C—H O hydrogen bonds link the two independent molecules forming A–B dimers with two R2 (6) ring motifs, and R2 (10) and R2 (14) ring motifs. In addition to these, the water molecule forms tetrafurcated hydrogen bonds which alternately generate R4 (12) and R6 (22) graph-set ring motifs. There are also – [inter-centroid distances = 3.5648 (14) and 3.6825 (15) Å] interactions present, leading to the formation of columns along the c-axis direction. In the crystal of (II), molecules are linked by pairs of N—H S hydrogen bonds, forming inversion dimers with an R2 (8) ring motif. The dimers are linked by C—H interactions, forming ribbons lying parallel to (210).
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