3-Amino-1-(4-fluorophenyl)-8-methoxy-1H-benzo[f]chromene-2-carbonitrile
The title compound, C21H15FN2O2, features an approximately planar 1H-benzo[f]chromene fused-ring system (r.m.s. deviation for the 14 non-H atoms = 0.052 Å), with the fluorobenzene ring being almost perpendicular to this [dihedral angle = 85.30 (7) °]. The furan...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2013-04-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S160053681300545X |
| _version_ | 1798019068954935296 |
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| author | Ahmed M. El-Agrody Mohamed A. Al-Omar Abd El-Galil E. Amr Seik Weng Ng Edward R. T. Tiekink |
| author_facet | Ahmed M. El-Agrody Mohamed A. Al-Omar Abd El-Galil E. Amr Seik Weng Ng Edward R. T. Tiekink |
| author_sort | Ahmed M. El-Agrody |
| collection | DOAJ |
| description | The title compound, C21H15FN2O2, features an approximately planar 1H-benzo[f]chromene fused-ring system (r.m.s. deviation for the 14 non-H atoms = 0.052 Å), with the fluorobenzene ring being almost perpendicular to this [dihedral angle = 85.30 (7) °]. The furan ring has a flattened half-chair conformation, with the methine C atom deviating by 0.132 (2) Å from the plane of the remaining atoms (r.m.s. deviation = 0.0107 Å). In the crystal, inversion dimers are formed via pairs of amine–cyano N—H...N hydrogen bonds. The dimers are connected into a three-dimensional architecture by C—H...N(cyano), C—H...π and π–π [intercentroid distance = 3.6671 (10) Å] interactions. |
| first_indexed | 2024-04-11T16:34:33Z |
| format | Article |
| id | doaj.art-3391b1adade84382aef6047416ee4591 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-04-11T16:34:33Z |
| publishDate | 2013-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-3391b1adade84382aef6047416ee45912022-12-22T04:13:52ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-04-01694o476o47710.1107/S160053681300545X3-Amino-1-(4-fluorophenyl)-8-methoxy-1H-benzo[f]chromene-2-carbonitrileAhmed M. El-AgrodyMohamed A. Al-OmarAbd El-Galil E. AmrSeik Weng NgEdward R. T. TiekinkThe title compound, C21H15FN2O2, features an approximately planar 1H-benzo[f]chromene fused-ring system (r.m.s. deviation for the 14 non-H atoms = 0.052 Å), with the fluorobenzene ring being almost perpendicular to this [dihedral angle = 85.30 (7) °]. The furan ring has a flattened half-chair conformation, with the methine C atom deviating by 0.132 (2) Å from the plane of the remaining atoms (r.m.s. deviation = 0.0107 Å). In the crystal, inversion dimers are formed via pairs of amine–cyano N—H...N hydrogen bonds. The dimers are connected into a three-dimensional architecture by C—H...N(cyano), C—H...π and π–π [intercentroid distance = 3.6671 (10) Å] interactions.http://scripts.iucr.org/cgi-bin/paper?S160053681300545X |
| spellingShingle | Ahmed M. El-Agrody Mohamed A. Al-Omar Abd El-Galil E. Amr Seik Weng Ng Edward R. T. Tiekink 3-Amino-1-(4-fluorophenyl)-8-methoxy-1H-benzo[f]chromene-2-carbonitrile Acta Crystallographica Section E |
| title | 3-Amino-1-(4-fluorophenyl)-8-methoxy-1H-benzo[f]chromene-2-carbonitrile |
| title_full | 3-Amino-1-(4-fluorophenyl)-8-methoxy-1H-benzo[f]chromene-2-carbonitrile |
| title_fullStr | 3-Amino-1-(4-fluorophenyl)-8-methoxy-1H-benzo[f]chromene-2-carbonitrile |
| title_full_unstemmed | 3-Amino-1-(4-fluorophenyl)-8-methoxy-1H-benzo[f]chromene-2-carbonitrile |
| title_short | 3-Amino-1-(4-fluorophenyl)-8-methoxy-1H-benzo[f]chromene-2-carbonitrile |
| title_sort | 3 amino 1 4 fluorophenyl 8 methoxy 1h benzo f chromene 2 carbonitrile |
| url | http://scripts.iucr.org/cgi-bin/paper?S160053681300545X |
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