In the title compound, C 10 H 10 N 2 O 6 , the dinitrobenzoate moiety is nearly planar. In the crystal structure, the molecules are stacked along the b axis, without anyinteraction.
Methyl 3,5-dinitrobenzoate
✍ Scribed by Jin, Long-Fei ;Xiao, Feng-Ping
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 205 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
A view of the molecular structure of (I), showing 30% probability displacement ellipsoids.
📜 SIMILAR VOLUMES
In the title molecule, C 8 H 7 NO 4 , the non-H atoms are essentially coplanar. In the crystal structure, short intermolecular OÁ Á ÁC (3.21 A ˚) and OÁ Á ÁN (3.17 A ˚) contacts indicate the presence ofinteractions.
The molecule of the title compound, C 11 H 12 N 2 O 6 , is essentially planar except for the alkyl chain, which has a non-extended conformation.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê R factor = 0.046 wR factor = 0.145 Data-to-parameter ratio = 16.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.