4-(3-Methoxyphenoxy)butyric acid

In the title compound, C11H14O4, an intermediate for the synthesis of a new kind of estrogen receptor modulator, all non-H atoms lie on a common plane (r.m.s. deviation = 0.0472 Å). All C-C bonds in the side chain are in
In the title compound, C11H14O4, an intermediate for the synthesis of a new kind of estrogen receptor modulator, all non-H atoms lie on a common plane (r.m.s. deviation = 0.0472 Å). All C-C bonds in the side chain are in a trans conformation, and the hydroxyl group is also trans to the methylene chain. In the crystal structure, molecules form centrosymmetric dimers showing a head-to-head arrangement which is stabilized by O-H...O hydrogen bonds. A weak C-H...O contact is also present. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.001 A°; R factor = 0.043; wR factor = 0.120; data-to-parameter ratio = 20.7.
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Metadaten
Author:Julia Heilmann-Brohl, Gérard Jaouen, Michael Bolte
URN:urn:nbn:de:hebis:30-68919
Document Type:Article
Language:English
Date of Publication (online):2009/09/02
Year of first Publication:2009
Publishing Institution:Univ.-Bibliothek Frankfurt am Main
Release Date:2009/09/02
Note:
This is an open-access article distributed under the terms of the Creative Commons Attribution Licence http://creativecommons.org/licenses/by/2.0/uk/legalcode, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Source:Acta Crystallographica Section E, Structure Reports Online, 2009. EE65, o778 ; doi:10.1107/S1600536809008186
HeBIS PPN:217320147
Institutes:Biochemie und Chemie
Dewey Decimal Classification:540 Chemie und zugeordnete Wissenschaften
Sammlungen:Universitätspublikationen
Licence (German):License LogoCreative Commons - Namensnennung 2.0

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