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

The crystal structure of (E)-dodec-2-enoic acid, C(12)H(22)O(2), 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 thre...

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Detalles Bibliográficos
Autores principales: Sonneck, Marcel, Peppel, Tim, Spannenberg, Anke, Wohlrab, Sebastian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518913/
https://www.ncbi.nlm.nih.gov/pubmed/26279945
http://dx.doi.org/10.1107/S2056989015011937
Descripción
Sumario:The crystal structure of (E)-dodec-2-enoic acid, C(12)H(22)O(2), 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)°].