A crystallographic study of Bis[S-benzyl-5-bromo- 2-oxoindolin-3- lidenemethanehydrazonthioate] disulfide solvated with dimethylsulfoxide / Mohd Abdul Fatah Abdul Manan ... [et al.]

Abdul Manan, Mohd Abdul Fatah and M. Tahir, M. Ibrahim and Karen A., Crouse and Fiona N.-F., How and David J., Watkin (2012) A crystallographic study of Bis[S-benzyl-5-bromo- 2-oxoindolin-3- lidenemethanehydrazonthioate] disulfide solvated with dimethylsulfoxide / Mohd Abdul Fatah Abdul Manan ... [et al.]. Scientific Research Journal, 9 (2). pp. 87-100. ISSN 1675-7009

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Abstract

The crystal structure of the title compound has been determined. The compound crystallized in the triclinic space group P -1, Z = 2, V = 1839.42(18) Å3 and unit cell parameters a = 11.0460(6) Å, b = 13.3180(7) Å, c = 13.7321(8) Å, α = 80.659(3)°, β = 69.800(3)° and γ = 77.007(2)° with one disordered dimethylsulfoxide solvent molecule with the sulfur and oxygen atoms are distributed over two sites; S101/S102 [site occupancy factors: 0.6035/0.3965] and O130/O131 [site occupancy factor 0.3965/0.6035]. The C22-S21 and C19-S20 bond distances of 1.779(7) Å and 1.788(8) Å indicate that both of the molecules are connected by the disulfide bond [S20-S21 2.055(2) Å] in its thiol form. The crystal structure reveals that both of the 5-bromoisatin moieties are trans with respect to the [S21-S20 and C19-N18] and [S20-S21 and C22-N23] bonds whereas the benzyl group from the dithiocarbazate are in the cis configuration with respect to [S21-S20 and C19-S44] and [S20- S21 and C22-S36] bonds. The crystal structure is further stabilized by intermolecular hydrogen bonds of N9-H35⋅⋅⋅O16 formed between the two molecules and N28-H281⋅⋅⋅O130, N28-H281⋅⋅⋅O131 and C41-H411⋅⋅⋅O131 with the solvent molecule.

Item Type: Article
Uncontrolled Keywords: Dithiocarbazate, 5-bromoisatin, Dimethylsulfoxide, Disordered, Disulfide
Subjects: Q Science > QD Chemistry > Inorganic chemistry > Carbon disulfide. Graphene. Carbon
Q Science > QD Chemistry > Organic chemistry > Dithiocarbamates. Thio compounds
Q Science > QD Chemistry > Crystallography
T Technology > TP Chemical technology > Dimethyl sulfoxide
Divisions: Research Management Institute (RMI)
Depositing User: Staf Pendigitan 1
Date Deposited: 06 Oct 2015 06:40
Last Modified: 16 May 2016 09:06
URI: http://ir.uitm.edu.my/id/eprint/11111

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