3-[(4-Nitrophenyl)aminocarbonyl]propanoic acid
✍ Scribed by Rath, Nigam P. ;Ravindra, H. J. ;Kumar, M. R. Suresh ;Dharmaprakash, S. M.
- Book ID
- 104491985
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 738 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C~10~H~10~N~2~O~5~, crystallizes in the centrosymmetric space group __P__2~1~/c. The carboxyl terminus end is almost perpendicular to the rest of the molecule [the dihedral angle between mean planes through the terminal COOH group, the adjacent C atom and rest of the molecule, except for the methylene H atoms, is 82.15 (18)°]. This molecule fails to show second-order nonlinear optical property due to the presence of inversion symmetry in the solid state. The crystal structure is stabilized by strong intermolecular O—H...·O and N—H...·O hydrogen bonding.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 100 K Mean (C-C) = 0.004 A Disorder in solvent or counterion R factor = 0.061 wR factor = 0.112 Data-to-parameter ratio = 22.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
The title compound, C 8 H 9 BrN 2 O 3 , was synthesized by condensation of -alanine methyl ester with 4-bromo-2-(trichloroacetyl)pyrrole, followed by saponification and acidification. In the molecule, all bond lengths and angles are normal. The crystal packing is stabilized by intermolecular N-HÁ Á
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.005 A Ê Disorder in main residue R factor = 0.067 wR factor = 0.195 Data-to-parameter ratio = 14.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.