2-Amino-5-methylpyridinium 3-(4-hydroxy-3-methoxyphenyl)-2-propenoate monohydrate
✍ Scribed by Xuan, Richeng ;Wan, Yuehua ;Hu, Weixiao ;Yang, Zhongyu ;Cheng, Dongping ;Xuan, Rirong
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 282 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.049 wR factor = 0.137 Data-to-parameter ratio = 12.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
The title compound, C 22 H 30 O 4 , is known as a chemopreventive agent against colon tumor development. The molecular structure is nearly planar, showing a trans arrangement with respect to the C C bond of the phenylpropenoate moiety.
The crystal structure of the title compound, C~14~H~10~N~2~O~5~·H~2~O, is stabilized by inversion-related O—H...O and C—H...O intermolecular hydrogen bonds and also by π–π interactions. The dihedral angle between the phthalide group and the benzene ring is 51.45 (8)°.
Single-crystal X-ray study T = 200 K Mean '(C±C) = 0.002 A Ê R factor = 0.042 wR factor = 0.105 Data-to-parameter ratio = 15.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C 16 H 13 ClN 2 O 2 , the dihedral angle between the pyridine and benzene rings is 40.1 (1) . There is a weak intramolecular C-HÁ Á ÁCl interaction. Molecules are linked via O-HÁ Á ÁN hydrogen bonds, forming chains of graph-set motif C(6) along the a axis.