4-(4-Aminophenylsulfonyl)aniline-1,3-5-trinitrobenzene (1/2)


Autoria(s): Smith, Graham; Wermuth, Urs D.
Data(s)

2012

Resumo

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.

Formato

application/pdf

Identificador

http://eprints.qut.edu.au/48836/

Publicador

Blackwell Publishing on behalf of IUCr

Relação

http://eprints.qut.edu.au/48836/1/DAPSTNB.PDF

DOI:10.1107/S1600536812001742

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.

Direitos

Copyright 2012 IUCr

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.

Fonte

School of Chemistry, Physics & Mechanical Engineering; Science & Engineering Faculty

Palavras-Chave #030000 CHEMICAL SCIENCE #crystal structure #molecular adduct #Dapsone #hydrogen bonding
Tipo

Journal Article