(E)-1-[4-(2,4-Dihydroxybenzylideneamino)phenyl]ethanone sesquihydrate
✍ Scribed by Özek, Arzu ;Albayrak, Çiğdem ;Odabaşoğlu, Mustafa ;Büyükgüngör, Orhan
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 516 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The asymmetric unit of the title compound, C~15~H~13~NO~3~·1.5H~2~O, consists of one ethanone molecule, one water molecule and one half-molecule of water. The organic molecule is a phenol–imine tautomer, as evidenced from C—O, C—N and C—C bond lengths and it is stabilized by an intramolecular O—H...N hydrogen bond which generates an S(6) ring motif. It is nearly planar, with a dihedral angle of 1.40 (10)° between the two aromatic rings. Molecules are linked by three intermolecular O—H...O hydrogen bonds, forming dimers, and are further linked by C—H...π interactions, forming a three-dimensional network.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.045 wR factor = 0.104 Data-to-parameter ratio = 10.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The O C-C N sequence of atoms in the title molecule [alternative name: 2,3-diphenyl-4-(4-nitrophenyl)-1-oxa-4azabutadiene], C 20 H 14 N 2 O 3 , adopts a gauche conformation, with an O C-C N torsion angle of 88.9 (1) .