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

moldisplay filedownload file

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

cmldisplay filedownload file

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


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