Crystal structure and conformational analysis of 2-hy­droxy-3-(2-methyl­prop-1-en-1-yl)naphthalene-1,4-dione

Acta Crystallographica Section E: Crystallographic Communications

Welma Duarte Silva, S.¹  R.dos Santos Malta, V.¹  Luciano Balliano, T.¹  Alcantara Emiliano, S.¹  Alves Pereira, M.¹ 

[1] Institute of Chemistry and Biotechnology – IQB, Federal University of Alagoas - UFAL, Maceio–Alagoas, Brazil

关键词: CRYSTAL STRUCTURE;    NAPHTHOQUINONE DERIVATIVE;    MOLECULAR CONFORMATION;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989015024755

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the structure of the title compound, C14H12O3, the substituent side chain, in which the H atoms of both methyl groups are disordered over six equivalent sites, lies outside of the plane of the naphthalene­dione ring. The ring-to-chain C—C—C—C torsion angles are 50.7 (3), −176.6 (2) and 4.9 (4)°. An intra­molecular meth­yl–hy­droxy C—H⋯O hydrogen bond is present. In the crystal, mol­ecules are primarily connected by inter­molecular O—H⋯O hydrogen bonds, forming a centrosymmetric cyclic dimer motif [graph set R22(10)]. Also present is a weak inter­molecular C—H⋯O hydrogen bond linking the dimers and a weak π–π ring inter­action [ring centroid separation = 3.7862 (13) Å], giving layers parallel to (10-3).

【 授权许可】

CC BY