Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.005 A Ê R factor = 0.047 wR factor = 0.113 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.
Dimethyl 1H-pyrazole-3,5-dicarboxylate
✍ Scribed by Xiao, Jun-Ping ;Zhou, Qing-Xiang ;Tu, Jia-Hongwen
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 576 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
The title compound, C 7 H 8 N 2 O 4 , is an important precursor of bi-or multidentate ligands. The structure contains two molecules linked together via intermolecular N-HÁ Á ÁO and N-HÁ Á ÁN hydrogen bonds and intermolecular C-HÁ Á ÁO contacts, resulting in a two-dimensional network. All atoms except for methyl H atoms lie on crystallographic mirror planes.
📜 SIMILAR VOLUMES
In the title compound, C 6 H 10 N 2 O, corrugated sheets parallel to the (101) plane are formed via intermolecular O-HÁ Á ÁN and N-HÁ Á ÁO hydrogen-bonding interactions.
In the title compound, C 24 H 22 N 2 , the bond distances and angles are typical. The central C atom exhibits a distorted tetrahedral geometry; the angles range from 106.17 (8) to 113.01 (9) . The torsion angles N-C-C(ipso)-C(ortho) involving the phenyl rings are very different, at 5.20 (14), 46.68
Single-crystal X-ray study T = 170 K Mean (C-C) = 0.008 A Disorder in main residue R factor = 0.086 wR factor = 0.198 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.