In the title compound, C 13 H 17 N 5 O 2 , the dihedral angle angle between the pyrazole and pyridazine rings is 14.44 (8) . The molecules are linked into a chain along the b axis by C-HÁ Á ÁO hydrogen bonds.
Methyl 4-amino-5-oxocyclohepta-1,3,6-triene-1-carboxylate
✍ Scribed by Kubo, Kanji ;Matsumoto, Taisuke ;Hashimoto, Masashi ;Mori, Akira
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 225 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 183 K Mean '(C±C) = 0.003 A Ê R factor = 0.052 wR factor = 0.142 Data-to-parameter ratio = 12.5 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 7 H 10 N 2 O 3 , is planar and the structure is stabilized by an intramolecular NÐHÁ Á ÁO hydrogen bond. The molecules form dimers through NÐHÁ Á ÁO hydrogen bonds that are linked by NÐHÁ Á ÁN hydrogen bonds along the c axis.
Single-crystal X-ray study T = 183 K Mean '(C±C) = 0.006 A Ê R factor = 0.035 wR factor = 0.079 Data-to-parameter ratio = 14.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.