MOLECULAR CO-CRYSTALS OF CARBOXYLIC-ACIDS .18. 1 1 ADDUCT OF 1,3,5-TRINITROBENZENE WITH 4-AMINOBENZOIC ACID/

Authors
LYNCH DE SMITH G BYRIEL KA KENNARD CHL
Citation
De. Lynch et al., MOLECULAR CO-CRYSTALS OF CARBOXYLIC-ACIDS .18. 1 1 ADDUCT OF 1,3,5-TRINITROBENZENE WITH 4-AMINOBENZOIC ACID/, Acta crystallographica. Section C, Crystal structure communications, 50, 1994, pp. 2079-2082
Citations number
21
Categorie Soggetti
Crystallography
Journal title
Acta crystallographica. Section C, Crystal structure communications → ACNP
ISSN journal
01082701
Volume
50
Year of publication
1994
Part
12
Pages
2079 - 2082
Database
ISI
SICI code
0108-2701(1994)50:<2079:MCOC.1>2.0.ZU;2-O
Abstract
The structure of the title compound, C6H3N3O6.C7H7NO2, one of three co -crystalline products formed in the reaction of 2,4,6-trinitrobenzoic acid with 4-aminobenzoic acid, comprises a 1:1 adduct of 1,3,5-trinitr obenzene (TNB) and 4-aminobenzoic acid (PABA), in which both molecules are involved in homo-molecular hydrogen bonding. The PABA molecule fo rms an eight-membered cyclic dimer with another symmetry-generated aci d molecule [O...O, 2.65 (1) Angstrom]. The TNB molecule is also involv ed in possible C-H...O interactions. The layered structure and red col oration of the crystals indicate possible charge-transfer interactions .