Methyl 2-(methoxyacetylamino)benzoate
✍ Scribed by Liu, Qing-Xiang ;Feng, Jin-Cheng ;Yin, Li-Na ;Guo, Jian-Hua
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 127 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê R factor = 0.056 wR factor = 0.119 Data-to-parameter ratio = 14.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 13 H 14 O 7 , is derived from methyl gallate, a protective biological antioxidant. It crystallizes with two independent molecules in the asymmetric unit.
The structure of the title compound, C 8 H 13 NO 3 , re®ned in space group Pna2 1 , which was chosen over Pnam as the space group because of the lack of mirror or inversion symmetry. An NÐHÁ Á ÁO intermolecular hydrogen bond is observed.
In the title molecule, C 15 H 12 ClNO 3 , the planar chlorophenyl moiety forms a dihedral angle of 60.70 (7) with the mean plane through the rest of the non-H atoms in the molecule. The carbonyl O atoms are involved in intramolecular NÐ HÁ Á ÁO and CÐHÁ Á ÁO hydrogen bonds. In the solid state, the m