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2-Amino-4-(4-bromophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile
In the title compound, C(21)H(15)BrN(2)O(2), the 14 non-H atoms of the 4H-benzo[h]chromene fused-ring system are approximately coplanar (r.m.s. deviation = 0.129 Å). Within this system, the 4H-pyran ring adopts a flattened half-chair conformation with the methine C atom lying 0.281 (4) Å above the p...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629517/ https://www.ncbi.nlm.nih.gov/pubmed/23634035 http://dx.doi.org/10.1107/S1600536813005461 |
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author | Al-dies, Al-anood M. El-Agrody, Ahmed M. Al-Omar, Mohamed A. Amr, Abd El-Galil E. Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | Al-dies, Al-anood M. El-Agrody, Ahmed M. Al-Omar, Mohamed A. Amr, Abd El-Galil E. Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | Al-dies, Al-anood M. |
collection | PubMed |
description | In the title compound, C(21)H(15)BrN(2)O(2), the 14 non-H atoms of the 4H-benzo[h]chromene fused-ring system are approximately coplanar (r.m.s. deviation = 0.129 Å). Within this system, the 4H-pyran ring adopts a flattened half-chair conformation with the methine C atom lying 0.281 (4) Å above the plane of the remaining atoms (r.m.s. deviation = 0.0446 Å). The bromobenzene ring is almost perpendicular to the fused-ring system [dihedral angle = 85.34 (13)°]. In the crystal, supramolecular layers parallel to (101) are sustained by amine–cyano N—H⋯N and amine–methoxy N—H⋯O hydrogen bonds. The layers stack with interactions of the type (bromobenzene)C—H⋯π(outer-C(6) ring of the fused-ring system) connecting them. |
format | Online Article Text |
id | pubmed-3629517 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36295172013-04-30 2-Amino-4-(4-bromophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile Al-dies, Al-anood M. El-Agrody, Ahmed M. Al-Omar, Mohamed A. Amr, Abd El-Galil E. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(15)BrN(2)O(2), the 14 non-H atoms of the 4H-benzo[h]chromene fused-ring system are approximately coplanar (r.m.s. deviation = 0.129 Å). Within this system, the 4H-pyran ring adopts a flattened half-chair conformation with the methine C atom lying 0.281 (4) Å above the plane of the remaining atoms (r.m.s. deviation = 0.0446 Å). The bromobenzene ring is almost perpendicular to the fused-ring system [dihedral angle = 85.34 (13)°]. In the crystal, supramolecular layers parallel to (101) are sustained by amine–cyano N—H⋯N and amine–methoxy N—H⋯O hydrogen bonds. The layers stack with interactions of the type (bromobenzene)C—H⋯π(outer-C(6) ring of the fused-ring system) connecting them. International Union of Crystallography 2013-03-02 /pmc/articles/PMC3629517/ /pubmed/23634035 http://dx.doi.org/10.1107/S1600536813005461 Text en © Al-dies et al. 2013 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 Al-dies, Al-anood M. El-Agrody, Ahmed M. Al-Omar, Mohamed A. Amr, Abd El-Galil E. Ng, Seik Weng Tiekink, Edward R. T. 2-Amino-4-(4-bromophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile |
title | 2-Amino-4-(4-bromophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile |
title_full | 2-Amino-4-(4-bromophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile |
title_fullStr | 2-Amino-4-(4-bromophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile |
title_full_unstemmed | 2-Amino-4-(4-bromophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile |
title_short | 2-Amino-4-(4-bromophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile |
title_sort | 2-amino-4-(4-bromophenyl)-6-methoxy-4h-benzo[h]chromene-3-carbonitrile |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629517/ https://www.ncbi.nlm.nih.gov/pubmed/23634035 http://dx.doi.org/10.1107/S1600536813005461 |
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