Acta Crystallographica Section C

Crystal Structure Communications

Volume 68, Part 9 (September 2012)

organic compounds

fa3277 scheme

Acta Cryst. (2012). C68, o335-o337 [ doi:10.1107/S0108270112029022 ]

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

S. H. Lapidus, A. Lemmerer, J. Bernstein and P. W. Stephens

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, C₉H₁₁N₃O·C₇H₆O₄, 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.

Formula: C₉H₁₁N₃O·C₇H₆O₄


	MDL mol file (2.6 kbytes) [ doi:10.1107/S0108270112029022/fa3277Isup3.mol ] Supplementary material

	Chemical Markup Language (CML) file [ doi:10.1107/S0108270112029022/fa3277Isup4.cml ] Supplementary material

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