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 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.
| Author: | Julia Heilmann-Brohl, Gérard Jaouen, Michael Bolte |
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| URN: | urn:nbn:de:hebis:30-68919 |
| Document Type: | Article |
| Language: | English |
| Date of Publication (online): | 02.09.2009 |
| Year of first Publication: | 2009 |
| Publishing Institution: | Univ.-Bibliothek Frankfurt am Main |
| 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 |
| 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. |
| Licence (German): |  Creative Commons - Namensnennung 2.0 |
