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Rietveld refinement of the cocrystal 2,4-dihydroxybenzoic acid-N'-(propan-2-ylidene)nicotinohydrazide (1/1).

Authors :
Lapidus SH
Lemmerer A
Bernstein J
Stephens PW
Source :
Acta crystallographica. Section C, Crystal structure communications [Acta Crystallogr C] 2012 Sep; Vol. 68 (Pt 9), pp. o335-7. Date of Electronic Publication: 2012 Aug 01.
Publication Year :
2012

Abstract

A further example of using a covalent-bond-forming reaction to alter supramolecular assembly by modification of hydrogen-bonding possibilities is presented. This concept was introduced by Lemmerer, Bernstein & Kahlenberg [CrystEngComm (2011), 13, 55-59]. The title structure, C(9)H(11)N(3)O·C(7)H(6)O(4), which consists of a reacted niazid molecule, viz. N'-(propan-2-ylidene)nicotinohydrazide, and 2,4-dihydroxybenzoic acid, was solved from powder diffraction data using simulated annealing. The results further demonstrate the relevance and utility of powder diffraction as an analytical tool in the study of cocrystals and their hydrogen-bond interactions.

Details

Language :
English
ISSN :
1600-5759
Volume :
68
Issue :
Pt 9
Database :
MEDLINE
Journal :
Acta crystallographica. Section C, Crystal structure communications
Publication Type :
Academic Journal
Accession number :
22935498
Full Text :
https://doi.org/10.1107/S0108270112029022