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

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dc.contributor.authorGangadharan. Rajeswari
dc.contributor.authorHaribabu, Jebiti
dc.contributor.authorKarvembu, Ramasamy
dc.contributor.authorSethusankar, K
dc.date.accessioned2026-08-16T06:59:15Z
dc.date.available2026-08-16T06:59:15Z
dc.date.issued2015-02-21
dc.description.abstractThe 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 R 12(6) ring motifs, and R 22(10) and R 22(14) ring motifs. In addition to these, the water molecule forms tetrafurcated hydrogen bonds which alternately generate R44(12) and R66(22) graph-set ring motifs. There are also π-π [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 R22(8) ring motif. The dimers are linked by C - H⋯π interactions, forming ribbons lying parallel to (210).
dc.identifier.issn2056-9890
dc.identifier.urihttps://doi.org/10.1107/S2056989015003369
dc.identifier.urihttp://nitt.ndl.gov.in/handle/123456789/193
dc.language.isoen
dc.publisherInternational Union of Crystallography
dc.relation.ispartofseriesActa Crystallographica Section E: Structure Reports Online; Vol. 71 / No. 3
dc.titleCrystal structures of two hydrazinecarbo­thio­amide derivatives: (E)-N-ethyl-2-[(4-oxo-4H-chromen-3-yl)methyl­­idene]hydrazinecarbo­thio­amide hemi­hydrate and (E)-2-[(4-chloro-2H-chromen-3-yl)methyl­­idene]-N-phenyl­hydrazinecarbo­thio­amide
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Crystal structures of two hydrazinecarbothioamide derivatives E N ethyl 2 4 oxo 4H chromen 3 yl methylidene hydrazinecarbothioamide hemihydrate and E 2 4 chloro 2H chromen 3 yl methylidene N phenylhydrazinecarbothioamide.pdf
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