Crystal structure of (E)-dodec-2-enoic acid

Acta Crystallographica Section E: Crystallographic Communications

Sonneck, M.¹  Wohlrab, S.¹  Peppel, T.²  Spannenberg, A.³ 

[1] Leibniz-Institut für Katalyse e. V. an der Universität Rostock, Albert-Einstein-Str. 29a, 18059 Rostock, Germany

关键词: CRYSTAL STRUCTURE;    HYDROGEN BONDING;    DIMER;    UNSATURATED CARBOXYLIC ACID;    FATTY ACID;   

DOI  :  10.1107/S2056989015011937

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The crystal structure of (E)-dodec-2-enoic acid, C12H22O2, an α,β-unsaturated carb­oxy­lic acid with a melting point (295 K) near room temperature, is characterized by carb­oxy­lic acid inversion dimers linked by pairs of O—H⋯O hydrogen bonds. The carb­oxy­lic acid group and the following three carbon atoms of the chain of the (E)-dodec-2-enoic acid mol­ecule lie almost in one plane (r.m.s. deviation for the four C atoms and two O atoms = 0.012 Å), whereas the remaining carbon atoms of the hydro­carbon chain adopt a nearly fully staggered conformation [moduli of torsion angles vary from 174.01 (13) to 179.97 (13)°].

【 授权许可】

CC BY