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4-Hydroxy-3-methoxybenzaldehyde-nicotinamide (1/1)

How, Fiona Ni Foong and M.S, Amalina and Khaledi, Hamid and Mohd Ali, Hapipah (2011) 4-Hydroxy-3-methoxybenzaldehyde-nicotinamide (1/1). Acta Crystallographica Section E Structure Reports Online, E (67). o3168-o3168. ISSN 1600-5368

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In the title compound, C6H6N2O.C8H8O3, an equimolar cocrystal of nicotinamide and vanillin, the aromatic ring and the amide fragment of the nicotinamide molecule make a dihedral angle of 32.6 (2)deg. The vanillin molecule is almost planar, with an r.m.s. deviation for all non-H atoms of 0.0094 angstrom . The vaniline and nicotinamide aromatic rings are nearly coplanar, the dihedral angle between them being 3.20 (9)deg. In the crystal, the two components are linked through N—H...O and O—H...N hydrogen bonds into chains along the a axis.The chains are connected via C—H...O interactions, forming a three-dimensional polymeric structure.

Item Type: Article (Journal)
Additional Information: 6467/7864
Uncontrolled Keywords: single-crystal X-ray study; T = 100 K; mean �(C–C) = 0.003 A° ; R factor = 0.045; wR factor = 0.112; data-to-parameter ratio = 11.7.
Subjects: Q Science > QD Chemistry
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button): Kulliyyah of Science
Depositing User: Dr Fiona How
Date Deposited: 24 Nov 2011 12:26
Last Modified: 09 Sep 2015 12:25
URI: http://irep.iium.edu.my/id/eprint/7864

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