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

ABSTRACT: 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)°].

SUBMITTER: Sonneck M

PROVIDER: S-EPMC4518913 | biostudies-literature | 2015 Jul

REPOSITORIES: biostudies-literature

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

Sonneck Marcel M Peppel Tim T Spannenberg Anke A Wohlrab Sebastian S

Acta crystallographica. Section E, Crystallographic communications 20150630 Pt 7

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 ...[more]

PMID: 26279945

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