Gallagher, John F. ORCID: 0000-0003-4130-4556, Coleman, Claire M. and O'Shea, Donal F. (2004) tert-Butyl 5-methoxy-3-pentylindole-1-carboxylate. Acta Crystallographica Section C, 60 (2). pp. 149-151. ISSN 0108-2701
Abstract
he molecule of the title compound, C₁₉H₂₇NO₃, is essentially planar, with all non-H atoms within 0.2 Å of the nine-membered indole plane, except for the three tert-butyl C atoms. The C₅ pentyl chain is in an extended conformation, with three torsion angles of 179.95 (13), 179.65 (13) and -178.95 (15)° (the latter two angles include the C atoms of the C5 chain only). Three intramolecular C-H...O=C contacts are present (C...O < 3.05 Å and C-H...O > 115°), and an intermolecular C-H...O=C contact and π-π stacking complete the intermolecular interactions.
Metadata
Item Type: | Article (Published) |
---|---|
Refereed: | Yes |
Subjects: | Physical Sciences > Organic chemistry Physical Sciences > Chemistry Physical Sciences > Crystallography |
DCU Faculties and Centres: | DCU Faculties and Schools > Faculty of Science and Health > School of Chemical Sciences |
Publisher: | International Union of Crystallography |
Official URL: | http://dx.doi.org/10.1107/S0108270103028154 |
Use License: | This item is licensed under a Creative Commons Attribution-NonCommercial-Share Alike 3.0 License. View License |
ID Code: | 146 |
Deposited On: | 18 Jan 2008 by DORAS Administrator . Last Modified 10 Oct 2018 11:55 |
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