(N,N-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study

Acta Crystallographica Section E: Crystallographic Communications

Mukesh M. Jotani¹  Normah Awang²  Farah Natasha Haezam²  Nurul Farahana Kamaludin²  Edward R. T. Tiekink³ 

[1] Department of Physics, Bhavan's Sheth R. A. College of Science, Ahmedabad, Gujarat 380001, India;Environmental Health and Industrial Safety Programme, Faculty of Health Sciences, Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300 Kuala Lumpur, Malaysia;Research Centre for Crystalline Materials, School of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia;

关键词: crystal structure;    organotin;    dithiocarbamate;    Hirshfeld surface analysis;    computational chemistry;   

DOI  :  10.1107/S2056989019012490

来源: DOAJ

【 摘 要 】

The crystal and molecular structures of the title triorganotin dithiocarbamate, [Sn(C6H5)3(C7H14NS2)], are described. The molecular geometry about the metal atom is highly distorted being based on a C3S tetrahedron as the dithiocarbamate ligand is asymmetrically chelating to the tin centre. The close approach of the second thione-S atom [Sn...S = 2.9264 (4) Å] is largely responsible for the distortion. The molecular packing is almost devoid of directional interactions with only weak phenyl-C—H...C(phenyl) interactions, leading to centrosymmetric dimeric aggregates, being noted. An analysis of the calculated Hirshfeld surface points to the significance of H...H contacts, which contribute 66.6% of all contacts to the surface, with C...H/H...C [26.8%] and S...H/H...H [6.6%] contacts making up the balance.

【 授权许可】

Unknown