Crystal Structure of 2-(4-Methylimidazolin-2-yl)phenol: an Another Polymorph

• MITSUHASHI Ryoji

  Department of Applied Chemistry for Environment, School of Science and Technology, Kwansei Gakuin University

• MIKURIYA Masahiro

  Department of Applied Chemistry for Environment, School of Science and Technology, Kwansei Gakuin University

抄録

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)ų. 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.

収録刊行物

• X-ray Structure Analysis Online

  X-ray Structure Analysis Online 35 (0), 9-10, 2019-02-10

  社団法人 日本分析化学会

キーワード

• Materials Chemistry
• Analytical Chemistry

詳細情報

• CRID: 1390282763098939904
• NII論文ID: 130007594350
• DOI: 10.2116/xraystruct.35.9
• ISSN: 18833578
• Web Site: https://www.jstage.jst.go.jp/article/xraystruct/35/0/35_9/_pdf
• 本文言語コード: en
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