N?-[(E)-(3-Phenyl-1H-pyrazol-4-yl)methylidene]naphtho-[2,1-b] furan-2-carbohydrazide monohydrate
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Date
2011
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Abstract
In the title hydrate, C<inf>23</inf>H<inf>16</inf>N<inf>4</inf>O <inf>2</inf>·H2O, the pyrazole ring is approximately planar, with a maximum deviation of 0.023 (1) Å, and makes dihedral angles of 28.63 (6) and 46.44 (7)°with the naphtho-[2,1-b]furan ring system and the benzene ring, respectively, In the crystal, O-H?N, O-H?O, N-H?O, N-H?N, C-H?O and C-H?N hydrogen bonds link the molecules, forming sheets lying parallel to the ab plane. The crystal structure also features C-H?? interactions involving the centroids of the pyrazole and benzene rings.
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data-to-parameter ratio = 19.8, mean ?(C-C) = 0.002 Å, R factor = 0.051, single-crystal X-ray study, T = 100 K, wR factor = 0.129
Citation
Acta Crystallographica Section E: Structure Reports Online, 2011, 67, 12, pp. o3471-o3472