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2-Amino-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile
In the title molecule, C(21)H(15)FN(2)O(2), the dihedral angle between the fluoro-substituted benzene ring and the mean plane of the 4H-benzo[h]chromene ring system [maximum deviation = 0.109 (2) Å] is 83.35 (7)°. The pyran ring adopts a slight sofa conformation with the tertiary C(H) atom forming...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379488/ https://www.ncbi.nlm.nih.gov/pubmed/22719686 http://dx.doi.org/10.1107/S1600536812023021 |
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author | Al-Dies, Al-Anood M. Amr, Abdel-Galil E. El-Agrody, Ahmed M. Chia, Tze Shyang Fun, Hoong-Kun |
author_facet | Al-Dies, Al-Anood M. Amr, Abdel-Galil E. El-Agrody, Ahmed M. Chia, Tze Shyang Fun, Hoong-Kun |
author_sort | Al-Dies, Al-Anood M. |
collection | PubMed |
description | In the title molecule, C(21)H(15)FN(2)O(2), the dihedral angle between the fluoro-substituted benzene ring and the mean plane of the 4H-benzo[h]chromene ring system [maximum deviation = 0.109 (2) Å] is 83.35 (7)°. The pyran ring adopts a slight sofa conformation with the tertiary C(H) atom forming the flap. The methoxy group is slightly twisted from the attached benzene ring of the 4H-benzo[h]chromene moiety [C—O—C—C = −4.3 (3)°]. In the crystal, molecules are linked by intermolecular N—H⋯N hydrogen bonds into infinite wave-like chains along the b axis. The crystal packing is further stabilized by π–π interactions [centroid–centroid distance = 3.7713 (9) Å]. |
format | Online Article Text |
id | pubmed-3379488 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33794882012-06-20 2-Amino-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile Al-Dies, Al-Anood M. Amr, Abdel-Galil E. El-Agrody, Ahmed M. Chia, Tze Shyang Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title molecule, C(21)H(15)FN(2)O(2), the dihedral angle between the fluoro-substituted benzene ring and the mean plane of the 4H-benzo[h]chromene ring system [maximum deviation = 0.109 (2) Å] is 83.35 (7)°. The pyran ring adopts a slight sofa conformation with the tertiary C(H) atom forming the flap. The methoxy group is slightly twisted from the attached benzene ring of the 4H-benzo[h]chromene moiety [C—O—C—C = −4.3 (3)°]. In the crystal, molecules are linked by intermolecular N—H⋯N hydrogen bonds into infinite wave-like chains along the b axis. The crystal packing is further stabilized by π–π interactions [centroid–centroid distance = 3.7713 (9) Å]. International Union of Crystallography 2012-05-31 /pmc/articles/PMC3379488/ /pubmed/22719686 http://dx.doi.org/10.1107/S1600536812023021 Text en © Al-Dies et al. 2012 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. Amr, Abdel-Galil E. El-Agrody, Ahmed M. Chia, Tze Shyang Fun, Hoong-Kun 2-Amino-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile |
title | 2-Amino-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile |
title_full | 2-Amino-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile |
title_fullStr | 2-Amino-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile |
title_full_unstemmed | 2-Amino-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile |
title_short | 2-Amino-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromene-3-carbonitrile |
title_sort | 2-amino-4-(4-fluorophenyl)-6-methoxy-4h-benzo[h]chromene-3-carbonitrile |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379488/ https://www.ncbi.nlm.nih.gov/pubmed/22719686 http://dx.doi.org/10.1107/S1600536812023021 |
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