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(±)-(2S,1'S)-2-[羟基(苯基)甲基]-2-甲基环己酮(C₁₄H₁₈O₂)的结构

Structure of (+/-)-(2S,1'S)-2-[hydroxy(phenyl)methyl]-2-methylcyclohexanone, C14H1802.

作者信息

Nakamura E, Kuwajima I, Williard P G

机构信息

Department of Chemistry, Tokyo Institute of Technology, Japan.

出版信息

Acta Crystallogr C. 1991 May 15;47 ( Pt 5):984-5. doi: 10.1107/s010827019000909x.

DOI:10.1107/s010827019000909x
PMID:1930819
Abstract

Mr = 281.30, monoclinic, P2(1)/n, a = 10.966 (4), b = 7.170 (3), c = 15.976 (4) A, beta = 93.14 (2) degrees, V = 1254.3 (9) A3, Z = 4, Dx = 1.16 g cm-3, lambda (Mo K alpha) = 0.71069 A, mu = 0.706 cm-1, F(000) = 472, T = 295 K, final R = 0.057 for 1212 unique observed reflections. The compound was prepared by reaction of the trichlorotitanium-delta 1(2)-enolate of 2-methylcyclohexanone with benzaldehyde.

摘要

Mr = 281.30,单斜晶系,P2(1)/n,a = 10.966 (4),b = 7.170 (3),c = 15.976 (4) Å,β = 93.14 (2)°,V = 1254.3 (9) ų,Z = 4,Dx = 1.16 g cm⁻³,λ(Mo Kα) = 0.71069 Å,μ = 0.706 cm⁻¹,F(000) = 472,T = 295 K,对于1212个独特的观测反射,最终R = 0.057。该化合物是通过2-甲基环己酮的三氯钛-δ¹(2)-烯醇盐与苯甲醛反应制备的。

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