Acta Crystallographica Section C

Crystal Structure Communications

Volume 61, Part 12 (December 2005)

organic compounds


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Acta Cryst. (2005). C61, o683-o689    [doi:10.1107/S0108270105032580]

Four nitrobenzaldehyde isonicotinoylhydrazones at 120 K: four different supramolecular structures in two and three dimensions

S. M. S. V. Wardell, M. V. N. de Souza, J. L. Wardell, J. N. Low and C. Glidewell

Abstract: The molecules of 2-nitrobenzaldehyde isonicotinoylhydrazone, C13H10N4O3, (I), are linked into a three-dimensional framework by a combination of one N-H...N and three C-H...O hydrogen bonds. In the isomeric compound 3-nitrobenzaldehyde isonicotinoylhydrazone, (II), the molecules are linked into complex sheets by a combination of three hydrogen bonds, one each of the N-H...N, C-H...N and C-H...O types. The molecules of the third isomer, namely 4-nitrobenzaldehyde isonicotinoylhydrazone, (III), are linked into bilayers by a combination of one N-H...N, one C-H...N and two C-H...O hydrogen bonds. 2,4-Dinitrobenzaldehyde isonicotinoylhydrazone, (IV), crystallizes as a stoichiometric monohydrate, C13H9N5O5·H2O, and the molecular components are linked into a three-dimensional framework by a combination of O-H...O, O-H...N, N-H...O and three independent C-H...O hydrogen bonds.

Formula: Three isomers of C13H10N4O3 and C13H9N5O5·H2O

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Structure factor file (CIF format) (137.6 kbytes)
Contains datablock I

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Structure factor file (CIF format) (135.9 kbytes)
Contains datablock II

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Structure factor file (CIF format) (136.4 kbytes)
Contains datablock III

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Structure factor file (CIF format) (159.6 kbytes)
Contains datablock IV

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