In the title compound, C 19 H 20 N 2 O 5 Á0.19H 2 O, the coumarin moiety is oriented almost perpendicular to the plane of the pyrazole ring. The crystal structure is stabilized by weak intermolecular CÐHÁ Á Á% interactions.
Dimethyl 1-(7-acetoxy-4-methyl-2-oxo-2H-chromen-8-ylmethyl)-1H-pyrazole-3,4-dicarboxylate
✍ Scribed by Thamotharan, S. ;Parthasarathi, V. ;Shinge, Prashant S. ;Badami, Bharati ;Ravikumar, K.
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 260 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê R factor = 0.043 wR factor = 0.128 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.
Single-crystal X-ray study T = 160 K Mean '(C±C) = 0.002 A Ê R factor = 0.041 wR factor = 0.116 Data-to-parameter ratio = 21.0 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 = 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.