Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 2 (February 2013)

organic compounds

 

rac-1-[6-Hydroxy-4-(4-methoxyphenyl)-3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-5-yl]ethanone

K. A. Potekhin, R. K. Askerov, K. E. Hajiyeva, N. A. Gadirova and S. I. Nazarov

Abstract: The title compound, C₁₈H₂₂N₂O₃, represents a (4S,5R,6S)-stereoisomer, crystallizing as a racemate in a centrosymmetric space group. The six-membered aliphatic ring adopts a half-chair conformation, with the hydroxy- and acetyl-substituted C atoms deviating by 0.458 (2) and -0.366 (2) Å, respectively, from the plane defined by other four ring atoms. The pyrazole ring is essentially planar [r.m.s deviation = 0.004 (2) Å]. In the crystal, the molecules are linked into chains along the b axis by N-HN hydrogen bonds. The chains are linked by O-HN hydrogen bonds into layers parallel to the bc plane.

	Hyper-Text Markup Language (HTML) file [ doi:10.1107/S1600536813000937/ld2089sup0.html ] Supplementary materials
	Chemical Markup Language (CML) file (6.8 kbytes) [ doi:10.1107/S1600536813000937/ld2089Isup3.cml ] Supplementary material

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