2-Amino-5-fluorobenzoic acid
In the title compound, C7H6FNO2, the molecule is almost planar (r.m.s. deviation for the non-H atoms = 0.015 Å) and an intramolecular N—H...O hydrogen bond closes an S(6) ring. In the crystal, inversion dimers linked by pairs of O—H...O hydrogen bonds generate...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2013-03-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S160053681300408X |
| _version_ | 1818320885984002048 |
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| author | K. Gunasekaran B. S. Palakshamurthy P.A. Suchetan K.E. ManojKumar S. Sreenivasa |
| author_facet | K. Gunasekaran B. S. Palakshamurthy P.A. Suchetan K.E. ManojKumar S. Sreenivasa |
| author_sort | K. Gunasekaran |
| collection | DOAJ |
| description | In the title compound, C7H6FNO2, the molecule is almost planar (r.m.s. deviation for the non-H atoms = 0.015 Å) and an intramolecular N—H...O hydrogen bond closes an S(6) ring. In the crystal, inversion dimers linked by pairs of O—H...O hydrogen bonds generate R22(8) loops. Weak N—H...F hydrogen bonds, short F...F contacts [2.763 (2) Å] and aromatic π–π stacking interactions [centroid–centroid separation = 3.5570 (11) Å] are also observed in the crystal structure. |
| first_indexed | 2024-12-13T10:32:07Z |
| format | Article |
| id | doaj.art-02b1d6cce2fc4f2a9206a6ea8228e769 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-13T10:32:07Z |
| publishDate | 2013-03-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-02b1d6cce2fc4f2a9206a6ea8228e7692022-12-21T23:50:50ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-03-01693o387o38710.1107/S160053681300408X2-Amino-5-fluorobenzoic acidK. GunasekaranB. S. PalakshamurthyP.A. SuchetanK.E. ManojKumarS. SreenivasaIn the title compound, C7H6FNO2, the molecule is almost planar (r.m.s. deviation for the non-H atoms = 0.015 Å) and an intramolecular N—H...O hydrogen bond closes an S(6) ring. In the crystal, inversion dimers linked by pairs of O—H...O hydrogen bonds generate R22(8) loops. Weak N—H...F hydrogen bonds, short F...F contacts [2.763 (2) Å] and aromatic π–π stacking interactions [centroid–centroid separation = 3.5570 (11) Å] are also observed in the crystal structure.http://scripts.iucr.org/cgi-bin/paper?S160053681300408X |
| spellingShingle | K. Gunasekaran B. S. Palakshamurthy P.A. Suchetan K.E. ManojKumar S. Sreenivasa 2-Amino-5-fluorobenzoic acid Acta Crystallographica Section E |
| title | 2-Amino-5-fluorobenzoic acid |
| title_full | 2-Amino-5-fluorobenzoic acid |
| title_fullStr | 2-Amino-5-fluorobenzoic acid |
| title_full_unstemmed | 2-Amino-5-fluorobenzoic acid |
| title_short | 2-Amino-5-fluorobenzoic acid |
| title_sort | 2 amino 5 fluorobenzoic acid |
| url | http://scripts.iucr.org/cgi-bin/paper?S160053681300408X |
| work_keys_str_mv | AT kgunasekaran 2amino5fluorobenzoicacid AT bspalakshamurthy 2amino5fluorobenzoicacid AT pasuchetan 2amino5fluorobenzoicacid AT kemanojkumar 2amino5fluorobenzoicacid AT ssreenivasa 2amino5fluorobenzoicacid |