2-Chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene
✍ Scribed by Gao, Shan ;Ng, Seik Weng
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 99 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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In the title compound, C~17~H~12~ClN~3~O~5~, the benzene rings are twisted out of the central –C~ar~–C–C(–CN)–C(=O)–N–plane. The dihedral angles between this plane and the aromatic planes are 31.2 (4) and 4.8 (3)°. The C=C double bond is in an __E__ configuration.
Single-crystal X-ray study T = 298 K Mean (C-C) = 0.006 A Disorder in main residue R factor = 0.095 wR factor = 0.243 Data-to-parameter ratio = 12.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 14 H 12 N 2 O 4 , exists as an enol-imine tautomer, in which a strong intramolecular O-HÁ Á ÁN hydrogen bond is formed. This study verifies the preference of the enol-imine tautomeric form in the solid state.
The crystal structure of the title compound, C~11~H~10~N~2~O~6~, is stabilized by C—H...π interactions.