The title compound, C 22 H 21 ClN 4 O, is used as an intermediate for the synthesis of biologically active compounds. Geometric parameters are in the usual ranges. The packing is stabilized by O-HÁ Á ÁN hydrogen bonding.
4′-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-1,1′-biphenyl-2-carbonitrile 0.25-hydrate
✍ Scribed by Song, Qing Bao ;Hu, You Hua ;Shen, Tian Hua ;Jin, Zhi Min
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 293 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê Disorder in main residue R factor = 0.056 wR factor = 0.118 Data-to-parameter ratio = 12.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
In the structure of the title compound, C 25 H 29 N 6 O + ÁCl À Á-1.69H 2 O, the irbesartan cation adopts tautomeric form A. The structure is stabilized by systems of hydrogen bonds forming ribbons along the ac diagonal, interlinked by sets of weaker hydrogen bonds involving the solvent water.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.054 wR factor = 0.131 Data-to-parameter ratio = 15.4 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 = 173 K Mean '(C±C) = 0.002 A Ê Disorder in main residue R factor = 0.047 wR factor = 0.125 Data-to-parameter ratio = 15.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.