Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.006 A Ê R factor = 0.063 wR factor = 0.199 Data-to-parameter ratio = 14.5 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
{3-[4-(N,N-Dimethylamino)phenyl]-1-(4-methylphenyl)-3-(phenylsulfanyl)propylidene}semicarbazide
✍ Scribed by Saravanan, Sivaperuman ;Muthusubramanian, Shanmugam
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 324 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
The title complex, C 21 H 21 N, crystallizes in space group P1, with Z = 6. The N atom is sp 2 -hybridized. The geometry of each of the three independent molecules is unremarkable. The interaction of the three molecules is discussed.
In the title compound, C 28 H 27 N 3 O 3 , the pyrazolone ring and the N atom of the 2-amino-3-phenylpropanoate group are essentially coplanar. The compound is in an enamine-keto form and its structure is stabilized by one strong intramolecular N-HÁ Á ÁO hydrogen bond.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.050 wR factor = 0.131 Data-to-parameter ratio = 12.4 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 = 213 K Mean '(C±C) = 0.005 A Ê R factor = 0.062 wR factor = 0.181 Data-to-parameter ratio = 12.8 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.