1-Phenyl-1H-pyrazole-4-carbaldehyde
In the title molecule, C10H8N2O, the five- and six-membered rings form a dihedral angle of 10.14 (9)°. The aldehyde group is almost coplanar with the pyrazole ring to which it is connected [O—C—C—C torsion angle = −17...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
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?S1600536812010896 |
| _version_ | 1798017037600030720 |
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| author | Abdullah M. Asiri Hassan M. Faidallah Tariq R. Sobahi Seik Weng Ng Edward R. T. Tiekink |
| author_facet | Abdullah M. Asiri Hassan M. Faidallah Tariq R. Sobahi Seik Weng Ng Edward R. T. Tiekink |
| author_sort | Abdullah M. Asiri |
| collection | DOAJ |
| description | In the title molecule, C10H8N2O, the five- and six-membered rings form a dihedral angle of 10.14 (9)°. The aldehyde group is almost coplanar with the pyrazole ring to which it is connected [O—C—C—C torsion angle = −179.35 (17)°]. In the crystal, inversion dimers are linked by four C—H...O interactions as the carbonyl O atom accepts two such bonds. The dimeric aggregates are linked into supramolecular layers in the ac plane by C—H...π and π–π [ring centroid(pyrrole)...ring centroid(phenyl) = 3.8058 (10) Å] interactions. |
| first_indexed | 2024-04-11T16:00:12Z |
| format | Article |
| id | doaj.art-6173504c57c943acab70156401fd6b5b |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-04-11T16:00:12Z |
| publishDate | 2012-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-6173504c57c943acab70156401fd6b5b2022-12-22T04:15:03ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-04-01684o1088o108810.1107/S16005368120108961-Phenyl-1H-pyrazole-4-carbaldehydeAbdullah M. AsiriHassan M. FaidallahTariq R. SobahiSeik Weng NgEdward R. T. TiekinkIn the title molecule, C10H8N2O, the five- and six-membered rings form a dihedral angle of 10.14 (9)°. The aldehyde group is almost coplanar with the pyrazole ring to which it is connected [O—C—C—C torsion angle = −179.35 (17)°]. In the crystal, inversion dimers are linked by four C—H...O interactions as the carbonyl O atom accepts two such bonds. The dimeric aggregates are linked into supramolecular layers in the ac plane by C—H...π and π–π [ring centroid(pyrrole)...ring centroid(phenyl) = 3.8058 (10) Å] interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536812010896 |
| spellingShingle | Abdullah M. Asiri Hassan M. Faidallah Tariq R. Sobahi Seik Weng Ng Edward R. T. Tiekink 1-Phenyl-1H-pyrazole-4-carbaldehyde Acta Crystallographica Section E |
| title | 1-Phenyl-1H-pyrazole-4-carbaldehyde |
| title_full | 1-Phenyl-1H-pyrazole-4-carbaldehyde |
| title_fullStr | 1-Phenyl-1H-pyrazole-4-carbaldehyde |
| title_full_unstemmed | 1-Phenyl-1H-pyrazole-4-carbaldehyde |
| title_short | 1-Phenyl-1H-pyrazole-4-carbaldehyde |
| title_sort | 1 phenyl 1h pyrazole 4 carbaldehyde |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536812010896 |
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