Molecular and Crystal Structure of 3,5,5-Trimethyl-2-(2-methyl-2-nitropropyl)-2-cyclohexen-1-one Possessing Molecular Asymmetry

• Nagao Azuma

  Department of Chemistry, Faculty of General Education, Ehime University

• Takehiro Ozawa

  Department of Chemistry, Faculty of General Education, Ehime University

• Kunihiko Yamawaki

  Department of Chemistry, Faculty of General Education, Ehime University

• Rui Tamura

  Department of Chemistry, Faculty of General Education, Ehime University

抄録

The crystal structure of an aliphatic nitro compound with atropisomerism, C13H21NO3, has been determined by X-ray diffraction at ambient temperature. The monoclinic structure (P21/c, Z = 8) was refined by the full-matrix least-squares method to a final R = 0.040 for 2394 observed unique reflections. Two crystallographically independent molecules consist of a pair of atropisomers. The intramolecular O···H–C type hydrogen bonds (O···C(methyl): 3.21–3.54 Å) and the contact between the nitro oxygen and ethylenic carbon atoms (O···C: 3.24 and 3.36 Å) may be responsible for this isomerism.

収録刊行物

• Bulletin of the Chemical Society of Japan

  Bulletin of the Chemical Society of Japan 65 (10), 2860-2862, 1992-10-01

  Oxford University Press (OUP)

キーワード

• General Chemistry

詳細情報

• CRID: 1360565169057177088
• NII論文ID: 130004057479
• DOI: 10.1246/bcsj.65.2860
• ISSN: 13480634
• ISSN: 00092673
• Web Site: https://academic.oup.com/bcsj/article-pdf/65/10/2860/56222828/bcsj.65.2860.pdf
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