4-(4-Aminophenylsulfonyl)aniline–1,3,5-trinitrobenzene (1/2)
The asymmetric unit of the title co-crystalline 1:2 adduct, C12H12N2O2·2C6H3N3O6, 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 thro...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2012-02-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812001742 |
| _version_ | 1818959002924482560 |
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| author | Graham Smith Urs D. Wermuth |
| author_facet | Graham Smith Urs D. Wermuth |
| author_sort | Graham Smith |
| collection | DOAJ |
| description | The asymmetric unit of the title co-crystalline 1:2 adduct, C12H12N2O2·2C6H3N3O6, 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 anges are 69.6 (3) and 63.63 (9)°. Aromatic π–π interactions are also found between one of the Dapsone aromatic rings and a trinitrobenzene ring [minimum ring centroid separation = 3.596 (3) Å]. 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. |
| first_indexed | 2024-12-20T11:34:43Z |
| format | Article |
| id | doaj.art-9a7de7cac78b454b85be867e94c9e6ef |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T11:34:43Z |
| publishDate | 2012-02-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-9a7de7cac78b454b85be867e94c9e6ef2022-12-21T19:42:08ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-02-01682o494o49410.1107/S16005368120017424-(4-Aminophenylsulfonyl)aniline–1,3,5-trinitrobenzene (1/2)Graham SmithUrs D. WermuthThe asymmetric unit of the title co-crystalline 1:2 adduct, C12H12N2O2·2C6H3N3O6, 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 anges are 69.6 (3) and 63.63 (9)°. Aromatic π–π interactions are also found between one of the Dapsone aromatic rings and a trinitrobenzene ring [minimum ring centroid separation = 3.596 (3) Å]. 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.http://scripts.iucr.org/cgi-bin/paper?S1600536812001742 |
| spellingShingle | Graham Smith Urs D. Wermuth 4-(4-Aminophenylsulfonyl)aniline–1,3,5-trinitrobenzene (1/2) Acta Crystallographica Section E |
| title | 4-(4-Aminophenylsulfonyl)aniline–1,3,5-trinitrobenzene (1/2) |
| title_full | 4-(4-Aminophenylsulfonyl)aniline–1,3,5-trinitrobenzene (1/2) |
| title_fullStr | 4-(4-Aminophenylsulfonyl)aniline–1,3,5-trinitrobenzene (1/2) |
| title_full_unstemmed | 4-(4-Aminophenylsulfonyl)aniline–1,3,5-trinitrobenzene (1/2) |
| title_short | 4-(4-Aminophenylsulfonyl)aniline–1,3,5-trinitrobenzene (1/2) |
| title_sort | 4 4 aminophenylsulfonyl aniline amp 8211 1 3 5 trinitrobenzene 1 2 |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536812001742 |
| work_keys_str_mv | AT grahamsmith 44aminophenylsulfonylanilineamp8211135trinitrobenzene12 AT ursdwermuth 44aminophenylsulfonylanilineamp8211135trinitrobenzene12 |