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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Autores principales: Sonneck, Marcel, Peppel, Tim, Spannenberg, Anke, Wohlrab, Sebastian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
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
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author Sonneck, Marcel
Peppel, Tim
Spannenberg, Anke
Wohlrab, Sebastian
author_facet Sonneck, Marcel
Peppel, Tim
Spannenberg, Anke
Wohlrab, Sebastian
author_sort Sonneck, Marcel
collection PubMed
description 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)°].
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spelling pubmed-45189132015-08-14 Crystal structure of (E)-dodec-2-enoic acid Sonneck, Marcel Peppel, Tim Spannenberg, Anke Wohlrab, Sebastian Acta Crystallogr E Crystallogr Commun Data Reports 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)°]. International Union of Crystallography 2015-06-30 /pmc/articles/PMC4518913/ /pubmed/26279945 http://dx.doi.org/10.1107/S2056989015011937 Text en © Sonneck et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Sonneck, Marcel
Peppel, Tim
Spannenberg, Anke
Wohlrab, Sebastian
Crystal structure of (E)-dodec-2-enoic acid
title Crystal structure of (E)-dodec-2-enoic acid
title_full Crystal structure of (E)-dodec-2-enoic acid
title_fullStr Crystal structure of (E)-dodec-2-enoic acid
title_full_unstemmed Crystal structure of (E)-dodec-2-enoic acid
title_short Crystal structure of (E)-dodec-2-enoic acid
title_sort crystal structure of (e)-dodec-2-enoic acid
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518913/
https://www.ncbi.nlm.nih.gov/pubmed/26279945
http://dx.doi.org/10.1107/S2056989015011937
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