Methyl 4-p-tolyl-1H-pyrrole-2-carboxylate
✍ Scribed by Gardiner, Michael G. ;Jones, Roderick C. ;Ng, Sarah ;Smith, Jason A.
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 151 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The molecules of the title compound, C 13 H 13 NO 2 , are close to planar [maximum deviation of 0.0753 (15) A ˚from the leastsquares plane defined by all non-H atoms in the molecule]. Molecules form centrosymmetric dimers through N-HÁ Á ÁO hydrogen bonding. Molecules further associate through edgeto-face -stacking between each face of the p-tolyl substituent and ortho H atoms of the p-tolyl units of adjacent molecules.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 120 K Mean '(C±C) = 0.005 A Ê R factor = 0.060 wR factor = 0.171 Data-to-parameter ratio = 13.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.053 wR factor = 0.159 Data-to-parameter ratio = 12.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the solid state, the title compound, C 15 H 23 NO 4 , forms centrosymmetric dimers in which individual molecules are linked by intermolecular N-HÁ Á ÁO hydrogen bonds. The pyrrole ring is planar within 0.004 (9) A ˚.