Title of article :
2-[(1E)-({[(Benzyl­sulfan­yl)methane­thio­yl]amino}­imino)­meth­yl]-6-meth­­oxy­phenol: crystal structure and Hirshfeld surface analysis
Author/Authors :
Md Yusof, Enis Nadia partment of Chemistry - Faculty of Science - Universiti Putra Malaysia ,Malaysia , Jotani, Mukesh M Department of Physics - Bhavan's Sheth R. A. College of Science - Ahmedabad,India , Tiekinkc, Edward R. T. Research Centre for Crystalline Materials - Faculty of Science and Technology - Sunway University, Malaysia , Ravoof, Thahira B. S. A. partment of Chemistry - Faculty of Science - Universiti Putra Malaysia ,Malaysia
Pages :
10
From page :
1
To page :
10
Abstract :
The title di­thio­carbazate ester, C16H16N2O2S2, comprises two almost planar residues, i.e. the phenyl ring and the remaining 14 non-H atoms (r.m.s. deviation = 0.0410 Å). These are orientated perpendicularly, forming a dihedral angle of 82.72 (5)°. An intra­molecular hy­droxy-O—H⋯N(imine) hydrogen bond, leading to an S(6) loop, is noted. An analysis of the geometric parameters is consistent with the mol­ecule existing as the thione tautomer, and the conformation about the C=N bond is E. The thione S and imine H atoms lie to the same side of the mol­ecule, facilitating the formation of inter­molecular N—H⋯S hydrogen bonds leading to eight-membered {⋯HNCS}2 synthons in the crystal. These aggregates are connected by phenyl-C—H⋯O(hy­droxy) inter­actions into a supra­molecular layer in the bc plane; these stack with no directional inter­actions between them. An analysis of the Hirshfeld surface confirms the nature of the inter­molecular inter­actions.
Keywords :
crystal structure , Hirshfeld surface analysis , di­thio­carbazate ester , hydrogen bonding
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2016
Full Text URL :
Record number :
2617745
Link To Document :
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