Cargando…
N′-[3-Cyano-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromen-2-yl]-N,N-dimethylmethanimidamide
In the title compound, C(24)H(20)FN(3)O(2), despite the 4H-pyran ring having a flattened half-chair conformation [the methine C atom lies 0.257 (3) Å above the plane of the remaining atoms with an r.m.s. deviation of 0.0295 Å], the 14 non-H atoms of the 4H-benzo[h]chromene residue are approximately...
Autores principales: | , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629518/ https://www.ncbi.nlm.nih.gov/pubmed/23634036 http://dx.doi.org/10.1107/S1600536813005503 |
_version_ | 1782266596450893824 |
---|---|
author | Al-dies, Al-anood M. Al-Omar, Mohamed A. Amr, Abd El-Galil E. El-Agrody, Ahmed M. Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | Al-dies, Al-anood M. Al-Omar, Mohamed A. Amr, Abd El-Galil E. El-Agrody, Ahmed M. Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | Al-dies, Al-anood M. |
collection | PubMed |
description | In the title compound, C(24)H(20)FN(3)O(2), despite the 4H-pyran ring having a flattened half-chair conformation [the methine C atom lies 0.257 (3) Å above the plane of the remaining atoms with an r.m.s. deviation of 0.0295 Å], the 14 non-H atoms of the 4H-benzo[h]chromene residue are approximately coplanar (r.m.s. deviation = 0.081 Å). The benzene ring is nearly perpendicular to this plane [dihedral angle = 76.18 (10)°], but the planar (r.m.s. deviation = 0.033 Å) dimethylmethanimidamide substituent is coplanar [dihedral angle = 1.96 (12)°]. In the crystal, centrosymmetric dimeric aggregates arise from C—H⋯N interactions, and these are connected into supramolecular layers in the ab plane by C—H⋯π and π–π [intercentroid (central C(6) ring)⋯(outer C(6) ring)(i) distance = 3.8564 (14) Å] interactions. |
format | Online Article Text |
id | pubmed-3629518 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36295182013-04-30 N′-[3-Cyano-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromen-2-yl]-N,N-dimethylmethanimidamide Al-dies, Al-anood M. Al-Omar, Mohamed A. Amr, Abd El-Galil E. El-Agrody, Ahmed M. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(24)H(20)FN(3)O(2), despite the 4H-pyran ring having a flattened half-chair conformation [the methine C atom lies 0.257 (3) Å above the plane of the remaining atoms with an r.m.s. deviation of 0.0295 Å], the 14 non-H atoms of the 4H-benzo[h]chromene residue are approximately coplanar (r.m.s. deviation = 0.081 Å). The benzene ring is nearly perpendicular to this plane [dihedral angle = 76.18 (10)°], but the planar (r.m.s. deviation = 0.033 Å) dimethylmethanimidamide substituent is coplanar [dihedral angle = 1.96 (12)°]. In the crystal, centrosymmetric dimeric aggregates arise from C—H⋯N interactions, and these are connected into supramolecular layers in the ab plane by C—H⋯π and π–π [intercentroid (central C(6) ring)⋯(outer C(6) ring)(i) distance = 3.8564 (14) Å] interactions. International Union of Crystallography 2013-03-02 /pmc/articles/PMC3629518/ /pubmed/23634036 http://dx.doi.org/10.1107/S1600536813005503 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. Al-Omar, Mohamed A. Amr, Abd El-Galil E. El-Agrody, Ahmed M. Ng, Seik Weng Tiekink, Edward R. T. N′-[3-Cyano-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromen-2-yl]-N,N-dimethylmethanimidamide |
title |
N′-[3-Cyano-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromen-2-yl]-N,N-dimethylmethanimidamide |
title_full |
N′-[3-Cyano-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromen-2-yl]-N,N-dimethylmethanimidamide |
title_fullStr |
N′-[3-Cyano-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromen-2-yl]-N,N-dimethylmethanimidamide |
title_full_unstemmed |
N′-[3-Cyano-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromen-2-yl]-N,N-dimethylmethanimidamide |
title_short |
N′-[3-Cyano-4-(4-fluorophenyl)-6-methoxy-4H-benzo[h]chromen-2-yl]-N,N-dimethylmethanimidamide |
title_sort | n′-[3-cyano-4-(4-fluorophenyl)-6-methoxy-4h-benzo[h]chromen-2-yl]-n,n-dimethylmethanimidamide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629518/ https://www.ncbi.nlm.nih.gov/pubmed/23634036 http://dx.doi.org/10.1107/S1600536813005503 |
work_keys_str_mv | AT aldiesalanoodm n3cyano44fluorophenyl6methoxy4hbenzohchromen2ylnndimethylmethanimidamide AT alomarmohameda n3cyano44fluorophenyl6methoxy4hbenzohchromen2ylnndimethylmethanimidamide AT amrabdelgalile n3cyano44fluorophenyl6methoxy4hbenzohchromen2ylnndimethylmethanimidamide AT elagrodyahmedm n3cyano44fluorophenyl6methoxy4hbenzohchromen2ylnndimethylmethanimidamide AT ngseikweng n3cyano44fluorophenyl6methoxy4hbenzohchromen2ylnndimethylmethanimidamide AT tiekinkedwardrt n3cyano44fluorophenyl6methoxy4hbenzohchromen2ylnndimethylmethanimidamide |