Title of article :
Di-n-butyl[N′-(3-methoxy-2-oxidobenzylidene)-N-phenylcarbamohydrazonothioato]tin(IV): crystal structure, Hirshfeld surface analysis and computational study
Author/Authors :
Yusof, Enis Nadia Md Chemistry Section - School of Distance Education - Universiti Sains Malaysia, Malaysia , Kwong, Huey Chong Research Centre for Crystalline Materials - School of Medical and Life Sciences - Sunway University, Malaysia , Karunakaran, Thiruventhan Centre for Drug Research - Universiti Sains Malaysia, Malaysia , Ravoof, Thahira B. S. A. Department of Chemistry - Faculty of Science - Universiti Putra Malaysia, Malaysia , Tiekink, Edward R. T. Research Centre for Crystalline Materials - School of Medical and Life Sciences - Sunway University, Malaysia
Abstract :
The title diorganotin Schiff base derivative, [Sn(C4H9)2(C15H13N3O2S)], features
a penta-coordinated tin centre defined by the N,O,S-donor atoms of the dianionic Schiff base ligand and two methylene-C atoms of the n-butyl
substituents. The resultant C2NOS donor set defines a geometry intermediate
between trigonal–bipyramidal and square-pyramidal. In the crystal, amine-N—
HO(methoxy) hydrogen bonding is found in a helical, supramolecular chain
propagating along the b-axis direction. The chains are assembled into a layer
parallel to (101) with methylene-C—H(phenyl) interactions prominent;
layers stack without directional interactions between them. The analysis of the
calculated Hirshfeld surface showed the presence of weak methylene-C—
H(phenyl) interactions and short HH contacts in the inter-layer region.
Consistent with the nature of the identified contacts, the stabilization of the
crystal is dominated by the dispersion energy term.
Keywords :
crystal structure , Schiff base , thiosemicarbazone , hydrogen bonding , Hirshfeld surface analysis , organotin
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
