Gallagher, John F. ORCID: 0000-0003-4130-4556, Coleman, Claire M. and O'Shea, Donal F. (2002) Ethyl 2-{[2-(3-nitrophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}acetate: synthesis via a microwave-mediated combinatorial chemistry approach. Acta Crystallographica Section C, 58 (3). pp. 139-141. ISSN 0108-2701
Abstract
The orange title compound, C₁₉H₁₇N₃O₄S, can be synthesized either via microwave-mediated combinatorial chemistry strategies or conventional synthetic procedures. The phenyl and meta-nitrophenyl C₆ rings are essentially coplanar with the central imidazolyl ring, with interplanar angles of 0.87 (5) and 0.97 (4)°, respectively, resulting in optimum conjugation (SCH₂ moiety included); [lambda]max = 281 nm in CH₃CN. The principal intermolecular interactions are Nimid-H...Onitro and Nimid-H...O=C [N...O = 3.058 (2) and 3.432 (3) Å, and N-H...O = 128 and 153°, respectively]. The closest H...S distance is an intramolecular C-H...S contact, with H...S = 2.54 Å and C-H...S = 136°.
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/S0108270101020571 |
Use License: | This item is licensed under a Creative Commons Attribution-NonCommercial-Share Alike 3.0 License. View License |
ID Code: | 155 |
Deposited On: | 22 Jan 2008 by DORAS Administrator . Last Modified 10 Oct 2018 11:56 |
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