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

The crystal structure of (E)-dodec-2-enoic acid, C12H22O2, an α,β-unsaturated carb-oxy-lic acid with a melting point (295 K) near room temperature, is characterized by carb-oxy-lic acid inversion dimers linked by pairs of O-H⋯O hydrogen bonds. The carb-oxy-lic acid group and the following three carb...

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Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2015-07, Vol.71 (Pt 7), p.o528-o529
Hauptverfasser: Sonneck, Marcel, Peppel, Tim, Spannenberg, Anke, Wohlrab, Sebastian
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Sprache:eng
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Zusammenfassung:The crystal structure of (E)-dodec-2-enoic acid, C12H22O2, an α,β-unsaturated carb-oxy-lic acid with a melting point (295 K) near room temperature, is characterized by carb-oxy-lic acid inversion dimers linked by pairs of O-H⋯O hydrogen bonds. The carb-oxy-lic acid group and the following three carbon atoms of the chain of the (E)-dodec-2-enoic acid mol-ecule 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 hydro-carbon chain adopt a nearly fully staggered conformation [moduli of torsion angles vary from 174.01 (13) to 179.97 (13)°].
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989015011937