Single-crystal X-ray study T = 295 K Mean (C-C) = 0.008 A R factor = 0.045 wR factor = 0.185 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.
3-Ferrocenyl-5-methyl-1H-pyrazole
✍ Scribed by Shi, Yao-Cheng ;Zhu, Bei-Bei ;Sui, Chun-Xia
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 366 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 295 K Mean (C-C) = 0.009 A R factor = 0.058 wR factor = 0.152 Data-to-parameter ratio = 15.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
The molecular structure of (I). Displacement ellipsoids are drawn at the 30% probability level.
The chiral title compound, [Fe 2 (C 5 H 5 ) 2 (C 26 H 20 N 4 O 2 )], crystallizes as a racemate. The enantiomers are linked by an aromatic stacking interaction into a centrosymmetric dimer.
Molecules of the title compound, [Fe~2~(C~5~H~5~)~2~(C~25~H~19~N~5~O~2~)], crystallize as enantiomeric pairs, located about inversion centers, thus acting as centrosymmetric dimers.
The title compound, C~11~H~10~N~2~O~2~, was prepared by the esterfication of 5-phenyl-1__H__-pyrazole-3-carboxylic acid with methanol. The phenyl ring is rotated out of the pyrazole plane, forming a dihedral angle of 6.4 (1)°. The crystal structure is stabilized by intermolecular aromatic π–π intera