CSD Entry BAVLOZ

Hydrogens Bond types Disorder

Packing Options None Unit Cell 3x3x3

C₁₀ H₂₀ O

Space Group: P 3₁

a 21.262(10) b 21.262(10) c 5.984(5)

α 90 β 90 γ 120

R-Factor: 4.93%

Temperature (K): 143

Identifier	BAVLOZ
Source Database	as531be
Reliability Score	Explain score
Author(s)	R.Bombicz, J.Bushmann, P.Luger, Nguyen Xuan Dung, Chu Ba Nam
Reference	Z.Kristallogr. (1999), 214, 420
Formula	C₁₀ H₂₀ O
Compound	(1R,2S,5R)-2-Isopropyl-5-methyl- cyclohexanol
Synonym	(-)-Menthol
Space Group	P 3₁
Cell Lengths	a 21.262(10) b 21.262(10) c 5.984(5)
Cell Angles	α 90 β 90 γ 120
Cell Volume	2342.77
Cross References	For racemate see ZEGDIA For stereoisomer see ZEGDIA
Z, Z'	Z: 9 Z': 3
R-Factor (%)	4.93
SMILES	CC(C)C1CCC(C)CC1O
Reduced Cell Lengths	a 5.984 b 21.262 c 21.262
Reduced Cell Angles	α 120 β 90 γ 90
Reduced Cell Volume	2342.77
Temperature (K)	143
Density (CCDC)	0.997
Average Sigma (C-C)	0 <= sigma <= 0.005
Radiation Probe	x-ray
Source	Mentha arvensis Linn
Habit	spherical
Recrystallisation Solvent	sublimation
CCDC Number	CCDC 112473
Experiment Type	single crystal
Colour	colorless

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Added to CSD: 9th November 1999; Last modified: 17th January 2013; Published in WebCSD: 21st January 2013 15:16:37