3-(5-Nitro-2-furyl)-1-phenylprop-2-yn-1-one
In the title compound, C13H7NO4, the 2-furyl ring is essentially planar, with a maximum deviation of 0.004 (1) Å. It is inclined at an angle of 11.69 (4)° to the benzene ring. The nitro group is slightly twisted out of the plane of...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2010-11-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810043850 |
| _version_ | 1828430005977219072 |
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| author | Hoong-Kun Fun Ching Kheng Quah Nithinchandra Balakrishna Kalluraya |
| author_facet | Hoong-Kun Fun Ching Kheng Quah Nithinchandra Balakrishna Kalluraya |
| author_sort | Hoong-Kun Fun |
| collection | DOAJ |
| description | In the title compound, C13H7NO4, the 2-furyl ring is essentially planar, with a maximum deviation of 0.004 (1) Å. It is inclined at an angle of 11.69 (4)° to the benzene ring. The nitro group is slightly twisted out of the plane of the 2-furyl ring, with a dihedral angle of 5.72 (8)°. There is a short O...C contact of 2.8562 (8) Å (symmetry code: −x, −y, 2 − z). In the crystal packing, molecules are linked via a pair of intermolecular C—H...O hydrogen bonds, giving rise to an R22(10) ring motif. Molecules are further linked into two-dimensional networks parallel to [100] via other intermolecular C—H...O hydrogen bonds. The crystal structure is consolidated by C—H...π interactions. |
| first_indexed | 2024-12-10T17:41:28Z |
| format | Article |
| id | doaj.art-7394b0796243499ebea80e90a01cff05 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-10T17:41:28Z |
| publishDate | 2010-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-7394b0796243499ebea80e90a01cff052022-12-22T01:39:21ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-11-016611o3031o303210.1107/S16005368100438503-(5-Nitro-2-furyl)-1-phenylprop-2-yn-1-oneHoong-Kun FunChing Kheng QuahNithinchandraBalakrishna KallurayaIn the title compound, C13H7NO4, the 2-furyl ring is essentially planar, with a maximum deviation of 0.004 (1) Å. It is inclined at an angle of 11.69 (4)° to the benzene ring. The nitro group is slightly twisted out of the plane of the 2-furyl ring, with a dihedral angle of 5.72 (8)°. There is a short O...C contact of 2.8562 (8) Å (symmetry code: −x, −y, 2 − z). In the crystal packing, molecules are linked via a pair of intermolecular C—H...O hydrogen bonds, giving rise to an R22(10) ring motif. Molecules are further linked into two-dimensional networks parallel to [100] via other intermolecular C—H...O hydrogen bonds. The crystal structure is consolidated by C—H...π interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536810043850 |
| spellingShingle | Hoong-Kun Fun Ching Kheng Quah Nithinchandra Balakrishna Kalluraya 3-(5-Nitro-2-furyl)-1-phenylprop-2-yn-1-one Acta Crystallographica Section E |
| title | 3-(5-Nitro-2-furyl)-1-phenylprop-2-yn-1-one |
| title_full | 3-(5-Nitro-2-furyl)-1-phenylprop-2-yn-1-one |
| title_fullStr | 3-(5-Nitro-2-furyl)-1-phenylprop-2-yn-1-one |
| title_full_unstemmed | 3-(5-Nitro-2-furyl)-1-phenylprop-2-yn-1-one |
| title_short | 3-(5-Nitro-2-furyl)-1-phenylprop-2-yn-1-one |
| title_sort | 3 5 nitro 2 furyl 1 phenylprop 2 yn 1 one |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810043850 |
| work_keys_str_mv | AT hoongkunfun 35nitro2furyl1phenylprop2yn1one AT chingkhengquah 35nitro2furyl1phenylprop2yn1one AT nithinchandra 35nitro2furyl1phenylprop2yn1one AT balakrishnakalluraya 35nitro2furyl1phenylprop2yn1one |