Single-crystal X-ray study T = 296 K Mean '(C±C) = 0.008 A Ê R factor = 0.048 wR factor = 0.139 Data-to-parameter ratio = 15.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
(1-Phenyl-2,3-dihydro-1H-benzimidazol-2-ylidene)malonodinitrile
✍ Scribed by Lu, Yin-Xiang ;Guo, Peng ;Cai, Yong-Zhi ;Xu, Wei ;Weng, Lin-Hong ;Huang, Yong-Ming
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 136 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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The title compound, C 20 H 15 N 3 O 3 , consists a phthalonitrile group and an isoindole-1,3-dione group connected by a flexible butoxy chain. The dihedral angle between these two groups is 70.47 (3) . Partial face-to-face overlap between the phthalonitrile groups of centrosymmetrically related mole
In the title compound, C 28 H 27 N 3 O 3 , the pyrazolone ring and the N atom of the 2-amino-3-phenylpropanoate group are essentially coplanar. The compound is in an enamine-keto form and its structure is stabilized by one strong intramolecular N-HÁ Á ÁO hydrogen bond.