3,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one
The title compound, C14H12N2O2, is almost planar with an r.m.s. deviation for all non-H atoms of 0.038 Å. The observed planarity is rationalized in terms of a close intramolecular C—H...O interaction. Supramolecular layers, two molecules thick and with a step...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2012-04-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812011348 |
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doaj-bf4a2f28dda141cf9a0cf28cb9f649122020-11-25T01:35:55ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-04-01684o1120o112010.1107/S16005368120113483,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-oneAbdullah M. AsiriHassan M. FaidallahSalem A. HameedSeik Weng NgEdward R. T. TiekinkThe title compound, C14H12N2O2, is almost planar with an r.m.s. deviation for all non-H atoms of 0.038 Å. The observed planarity is rationalized in terms of a close intramolecular C—H...O interaction. Supramolecular layers, two molecules thick and with a step topology, are formed in the crystal packing via C—H...O contacts involving the carbonyl O atom, which accepts two such bonds, and π–π interactions between the components of the fused ring system and the phenyl ring of inversion-related molecules [centroid–centroid distances = 3.6819 (13) and 3.6759 (12) Å].http://scripts.iucr.org/cgi-bin/paper?S1600536812011348 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Abdullah M. Asiri Hassan M. Faidallah Salem A. Hameed Seik Weng Ng Edward R. T. Tiekink |
| spellingShingle |
Abdullah M. Asiri Hassan M. Faidallah Salem A. Hameed Seik Weng Ng Edward R. T. Tiekink 3,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one Acta Crystallographica Section E |
| author_facet |
Abdullah M. Asiri Hassan M. Faidallah Salem A. Hameed Seik Weng Ng Edward R. T. Tiekink |
| author_sort |
Abdullah M. Asiri |
| title |
3,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one |
| title_short |
3,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one |
| title_full |
3,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one |
| title_fullStr |
3,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one |
| title_full_unstemmed |
3,6-Dimethyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazol-4-one |
| title_sort |
3,6-dimethyl-1-phenyl-1h,4h-pyrano[2,3-c]pyrazol-4-one |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E |
| issn |
1600-5368 |
| publishDate |
2012-04-01 |
| description |
The title compound, C14H12N2O2, is almost planar with an r.m.s. deviation for all non-H atoms of 0.038 Å. The observed planarity is rationalized in terms of a close intramolecular C—H...O interaction. Supramolecular layers, two molecules thick and with a step topology, are formed in the crystal packing via C—H...O contacts involving the carbonyl O atom, which accepts two such bonds, and π–π interactions between the components of the fused ring system and the phenyl ring of inversion-related molecules [centroid–centroid distances = 3.6819 (13) and 3.6759 (12) Å]. |
| url |
http://scripts.iucr.org/cgi-bin/paper?S1600536812011348 |
| work_keys_str_mv |
AT abdullahmasiri 36dimethyl1phenyl1h4hpyrano23cpyrazol4one AT hassanmfaidallah 36dimethyl1phenyl1h4hpyrano23cpyrazol4one AT salemahameed 36dimethyl1phenyl1h4hpyrano23cpyrazol4one AT seikwengng 36dimethyl1phenyl1h4hpyrano23cpyrazol4one AT edwardrttiekink 36dimethyl1phenyl1h4hpyrano23cpyrazol4one |
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