X-ray Structure Analysis Online
Online ISSN : 1883-3578
ISSN-L : 1883-3578
Part 2
Crystal Structure of 2-(4-Methylimidazolin-2-yl)phenol: an Another Polymorph
Ryoji MITSUHASHIMasahiro MIKURIYA
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2019 Volume 35 Pages 9-10

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Abstract

The crystal structure of 2-(4-methylimidazolin-2-yl)phenol was determined by X-ray crystallography. Single crystals were obtained from a racemic mixture of the title compound by the slow evaporation of an ethanol solution. The compound crystallizes in the orthorhombic chiral space group Pna21 and Z = 4 with cell parameters a = 12.595(4)Å, b = 6.2362(18)Å, c = 11.529(3)Å, V = 905.6(5)Å3. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0460 and 0.0997, respectively, for all 1953 independent reflections. In the crystal, the compound exists as zwitterionic form. An intermolecular hydrogen-bond was formed between the phenolate-O atom and N–H atom, which resulted in the formation of a 1D chain structure.

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© 2019 by The Japan Society for Analytical Chemistry
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