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(Phenyl)(3-phenylsulfonyl-1,2-dihydropyrrolo[1,2-a]quinoxalin-1-yl)methanone
In the title molecule, C(24)H(18)N(2)O(3)S, the 13-atom ring system comprising the quinoxaline and fused five-membered ring exhibits an r.m.s. deviation from coplanarity of 0.039 Å, with a maximum deviation of 0.0710 (10) Å for the PhCO-bearing C atom of the five-membered ring. The 10-membered C(8)...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247595/ https://www.ncbi.nlm.nih.gov/pubmed/22219900 http://dx.doi.org/10.1107/S1600536811040335 |
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author | Dürüst, Yaşar Sağırlı, Akın Fronczek, Frank R. |
author_facet | Dürüst, Yaşar Sağırlı, Akın Fronczek, Frank R. |
author_sort | Dürüst, Yaşar |
collection | PubMed |
description | In the title molecule, C(24)H(18)N(2)O(3)S, the 13-atom ring system comprising the quinoxaline and fused five-membered ring exhibits an r.m.s. deviation from coplanarity of 0.039 Å, with a maximum deviation of 0.0710 (10) Å for the PhCO-bearing C atom of the five-membered ring. The 10-membered C(8)N(2) quinoxaline ring system has an r.m.s. deviation from coplanarity of 0.022 Å, with a maximum deviation of 0.0403 (9) Å for the C atom involved in the C=C bond in the five-membered ring. The three atoms of the five-membered ring fused to the quinoxaline ring system show deviations of up to 0.118 (2) Å for the PhCO-bearing C atom. C—N bond distances in the quinoxaline ring system of the title molecule deviate from those in unsubstituted quinoxaline. In particular, the two C—N distances to the N atom involved in the five-membered ring are essentially equal, with values of 1.3786 (17) and 1.3773 (16) Å, unlike the difference of nearly 0.06 Å in quinoxaline. |
format | Online Article Text |
id | pubmed-3247595 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32475952012-01-04 (Phenyl)(3-phenylsulfonyl-1,2-dihydropyrrolo[1,2-a]quinoxalin-1-yl)methanone Dürüst, Yaşar Sağırlı, Akın Fronczek, Frank R. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title molecule, C(24)H(18)N(2)O(3)S, the 13-atom ring system comprising the quinoxaline and fused five-membered ring exhibits an r.m.s. deviation from coplanarity of 0.039 Å, with a maximum deviation of 0.0710 (10) Å for the PhCO-bearing C atom of the five-membered ring. The 10-membered C(8)N(2) quinoxaline ring system has an r.m.s. deviation from coplanarity of 0.022 Å, with a maximum deviation of 0.0403 (9) Å for the C atom involved in the C=C bond in the five-membered ring. The three atoms of the five-membered ring fused to the quinoxaline ring system show deviations of up to 0.118 (2) Å for the PhCO-bearing C atom. C—N bond distances in the quinoxaline ring system of the title molecule deviate from those in unsubstituted quinoxaline. In particular, the two C—N distances to the N atom involved in the five-membered ring are essentially equal, with values of 1.3786 (17) and 1.3773 (16) Å, unlike the difference of nearly 0.06 Å in quinoxaline. International Union of Crystallography 2011-10-08 /pmc/articles/PMC3247595/ /pubmed/22219900 http://dx.doi.org/10.1107/S1600536811040335 Text en © Dürüst et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Dürüst, Yaşar Sağırlı, Akın Fronczek, Frank R. (Phenyl)(3-phenylsulfonyl-1,2-dihydropyrrolo[1,2-a]quinoxalin-1-yl)methanone |
title | (Phenyl)(3-phenylsulfonyl-1,2-dihydropyrrolo[1,2-a]quinoxalin-1-yl)methanone |
title_full | (Phenyl)(3-phenylsulfonyl-1,2-dihydropyrrolo[1,2-a]quinoxalin-1-yl)methanone |
title_fullStr | (Phenyl)(3-phenylsulfonyl-1,2-dihydropyrrolo[1,2-a]quinoxalin-1-yl)methanone |
title_full_unstemmed | (Phenyl)(3-phenylsulfonyl-1,2-dihydropyrrolo[1,2-a]quinoxalin-1-yl)methanone |
title_short | (Phenyl)(3-phenylsulfonyl-1,2-dihydropyrrolo[1,2-a]quinoxalin-1-yl)methanone |
title_sort | (phenyl)(3-phenylsulfonyl-1,2-dihydropyrrolo[1,2-a]quinoxalin-1-yl)methanone |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247595/ https://www.ncbi.nlm.nih.gov/pubmed/22219900 http://dx.doi.org/10.1107/S1600536811040335 |
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