Smith, Graham & Wermuth, Urs D. (2012) 4-(4-Aminophenylsulfonyl)aniline-1,3-5-trinitrobenzene (1/2). Acta Crystallographica. Section E : Structure Reports Online, 68, o494-o494.
The asymmetric unit of the title co-crystalline 1:2 adduct C12H12N2O2 . 2(C6H3N3O6) contains two independent molecules of bis(4-aminophenyl)sulfone (the drug Dapsone) and four molecules of 1,3,5-trinitrobenzene and is extended into a two-dimensional hydrogen-bonded network structure through amino N-H...O hydrogen-bonding associations with nitro O- atom acceptors. In the two independent Dapsone molecules the inter-ring dihedral angles are 69.0(2) and 63.59(11)deg. Aromatic pi-pi interactions are also found between one of the Dapsone aromatic rings and a trinitrobenzene ring [minimum ring centroid separation 3.576(5)Ang.]. A 4-aminophenyl ring moiety of one of the Dapsone molecules and two nitro groups of a trinitrobenzene are disordered in a 50:50 ratio.
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|Item Type:||Journal Article|
|Keywords:||crystal structure, molecular adduct, Dapsone, hydrogen bonding|
|Subjects:||Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000)|
|Divisions:||Current > Schools > School of Chemistry, Physics & Mechanical Engineering|
Current > QUT Faculties and Divisions > Science & Engineering Faculty
|Copyright Owner:||Copyright 2012 IUCr|
|Copyright Statement:||This open-access article is distributed under the terms of the Creative Commons Attribution Licence http://creativecommons.org/licenses/by/2.0/uk/legalcode, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.|
|Deposited On:||24 Feb 2012 09:05|
|Last Modified:||24 Feb 2012 12:47|
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