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

Acta Crystallographica Section E: Crystallographic Communications

Karvembu, R.¹  Haribabu, J.¹  Gangadharan, R.²  Sethusankar, K.³ 

[1] Department of Chemistry, National Institute of Technology, Tiruchirappalli 620 015, India;Department of Physics, Ethiraj College for Women (Autonomous), Chennai 600 008, India;Department of Physics, RKM Vivekananda College (Autonomous), Chennai 600 004, India

关键词: CRYSTAL STRUCTURE;    HYDRAZINECARBOTHIOAMIDE;    THIOUREA DERIVATIVES;    [ALPHA]-N-HETEROCYCLE;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989015003369

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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 R21(6) ring motifs, and R22(10) and R22(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).

【 授权许可】

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