Crystal structure of 8-ethoxy-3-(4-nitrophenyl)-2H-chromen-2-one
In the title compound, C17H13NO5, the coumarin ring system is essentially planar (r.m.s. deviation = 0.008 Å). The nitrophenyl ring makes a dihedral angle of 25.27 (9)° with the coumarin ring plane. The nitro group is almost coplanar with the phenyl ring to which it is attached, making a dihedral an...
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International Union of Crystallography
2015-11-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989015019325 |
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doaj-955ddf7cc4ee4d32ae7ee0c7ba8ae45c2020-11-24T22:53:40ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-11-017111o860o86110.1107/S2056989015019325su5224Crystal structure of 8-ethoxy-3-(4-nitrophenyl)-2H-chromen-2-oneShashikanth Walki0S. Naveen1S. Kenchanna2K. M. Mahadevan3M. N. Kumara4N. K. Lokanath5Department of Chemistry, Kuvempu University, P. G. Centre, Kadur 577 548, IndiaInstitution of Excellence, University of Mysore, Manasagangotri, Mysore 570 006, IndiaDepartment of Chemistry, Kuvempu University, P. G. Centre, Kadur 577 548, IndiaDepartment of Chemistry, Kuvempu University, P. G. Centre, Kadur 577 548, IndiaDepartment of Chemistry, Yuvaraja's College, University of Mysore, Mysore 570 005, IndiaDepartment of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006, IndiaIn the title compound, C17H13NO5, the coumarin ring system is essentially planar (r.m.s. deviation = 0.008 Å). The nitrophenyl ring makes a dihedral angle of 25.27 (9)° with the coumarin ring plane. The nitro group is almost coplanar with the phenyl ring to which it is attached, making a dihedral angle of 4.3 (3)°. The ethoxy group is inclined to the coumarin ring plane by 4.1 (2)°. Electron delocalization was found at the short bridging C—C bond with a bond length of 1.354 (2) Å. In the crystal, molecules are linked via C—H...O hydrogen bonds, forming sheets in the bc plane. The sheets are linked via π–π stacking [centroid–centroid distances = 3.5688 (13) and 3.7514 (13) Å], forming a three-dimensional structure.http://scripts.iucr.org/cgi-bin/paper?S2056989015019325crystal structurecoumarinchromenC—H...O hydrogen bondsπ–π stacking |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Shashikanth Walki S. Naveen S. Kenchanna K. M. Mahadevan M. N. Kumara N. K. Lokanath |
| spellingShingle |
Shashikanth Walki S. Naveen S. Kenchanna K. M. Mahadevan M. N. Kumara N. K. Lokanath Crystal structure of 8-ethoxy-3-(4-nitrophenyl)-2H-chromen-2-one Acta Crystallographica Section E: Crystallographic Communications crystal structure coumarin chromen C—H...O hydrogen bonds π–π stacking |
| author_facet |
Shashikanth Walki S. Naveen S. Kenchanna K. M. Mahadevan M. N. Kumara N. K. Lokanath |
| author_sort |
Shashikanth Walki |
| title |
Crystal structure of 8-ethoxy-3-(4-nitrophenyl)-2H-chromen-2-one |
| title_short |
Crystal structure of 8-ethoxy-3-(4-nitrophenyl)-2H-chromen-2-one |
| title_full |
Crystal structure of 8-ethoxy-3-(4-nitrophenyl)-2H-chromen-2-one |
| title_fullStr |
Crystal structure of 8-ethoxy-3-(4-nitrophenyl)-2H-chromen-2-one |
| title_full_unstemmed |
Crystal structure of 8-ethoxy-3-(4-nitrophenyl)-2H-chromen-2-one |
| title_sort |
crystal structure of 8-ethoxy-3-(4-nitrophenyl)-2h-chromen-2-one |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E: Crystallographic Communications |
| issn |
2056-9890 |
| publishDate |
2015-11-01 |
| description |
In the title compound, C17H13NO5, the coumarin ring system is essentially planar (r.m.s. deviation = 0.008 Å). The nitrophenyl ring makes a dihedral angle of 25.27 (9)° with the coumarin ring plane. The nitro group is almost coplanar with the phenyl ring to which it is attached, making a dihedral angle of 4.3 (3)°. The ethoxy group is inclined to the coumarin ring plane by 4.1 (2)°. Electron delocalization was found at the short bridging C—C bond with a bond length of 1.354 (2) Å. In the crystal, molecules are linked via C—H...O hydrogen bonds, forming sheets in the bc plane. The sheets are linked via π–π stacking [centroid–centroid distances = 3.5688 (13) and 3.7514 (13) Å], forming a three-dimensional structure. |
| topic |
crystal structure coumarin chromen C—H...O hydrogen bonds π–π stacking |
| url |
http://scripts.iucr.org/cgi-bin/paper?S2056989015019325 |
| work_keys_str_mv |
AT shashikanthwalki crystalstructureof8ethoxy34nitrophenyl2hchromen2one AT snaveen crystalstructureof8ethoxy34nitrophenyl2hchromen2one AT skenchanna crystalstructureof8ethoxy34nitrophenyl2hchromen2one AT kmmahadevan crystalstructureof8ethoxy34nitrophenyl2hchromen2one AT mnkumara crystalstructureof8ethoxy34nitrophenyl2hchromen2one AT nklokanath crystalstructureof8ethoxy34nitrophenyl2hchromen2one |
| _version_ |
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