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tert-Butyl 5-methoxy-3-pentylindole-1-carboxylate

Gallagher, John F. and 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

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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.

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 02 Feb 2009 11:24

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