6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde
In the title compound, C10H4ClFO3, a chlorinated and fluorinated 3-formylchromone derivative, all atoms are essentially coplanar (r.m.s. = 0.0336 Å for the non-H atoms), with the largest deviation from the least-squares plane [0.062 (2) Å] being for a benzene-ring C atom. In the crystal, molecules a...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2014-07-01
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| Series: | Acta Crystallographica Section E |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536814014706 |
| _version_ | 1819294439495958528 |
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| author | Yoshinobu Ishikawa |
| author_facet | Yoshinobu Ishikawa |
| author_sort | Yoshinobu Ishikawa |
| collection | DOAJ |
| description | In the title compound, C10H4ClFO3, a chlorinated and fluorinated 3-formylchromone derivative, all atoms are essentially coplanar (r.m.s. = 0.0336 Å for the non-H atoms), with the largest deviation from the least-squares plane [0.062 (2) Å] being for a benzene-ring C atom. In the crystal, molecules are linked through stacking interactions [centroid–centroid distance between the benzene and pyran rings = 3.958 (3) Å and interplanar distance = 3.259 (3) Å], C—H...O hydrogen bonds, and short C...O contacts [2.879 (3) Å]. Unsymmetrical halogen–halogen interactions between the Cl and F atoms [Cl...F = 3.049 (3) Å, C—Cl...F = 148.10 (9)° and C—F...Cl = 162.06 (13)°] are also formed, giving a meandering two-dimensional network along the a axis. |
| first_indexed | 2024-12-24T04:26:20Z |
| format | Article |
| id | doaj.art-0f807df76bd24b5fb9538296a7856a24 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T04:26:20Z |
| publishDate | 2014-07-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-0f807df76bd24b5fb9538296a7856a242022-12-21T17:15:35ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-07-01707o825o82510.1107/S1600536814014706zl25936-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehydeYoshinobu Ishikawa0School of Pharmaceutical Sciences, University of Shizuoka, 52-1 Yada, Suruga-ku, Shizuoka 422-8526, JapanIn the title compound, C10H4ClFO3, a chlorinated and fluorinated 3-formylchromone derivative, all atoms are essentially coplanar (r.m.s. = 0.0336 Å for the non-H atoms), with the largest deviation from the least-squares plane [0.062 (2) Å] being for a benzene-ring C atom. In the crystal, molecules are linked through stacking interactions [centroid–centroid distance between the benzene and pyran rings = 3.958 (3) Å and interplanar distance = 3.259 (3) Å], C—H...O hydrogen bonds, and short C...O contacts [2.879 (3) Å]. Unsymmetrical halogen–halogen interactions between the Cl and F atoms [Cl...F = 3.049 (3) Å, C—Cl...F = 148.10 (9)° and C—F...Cl = 162.06 (13)°] are also formed, giving a meandering two-dimensional network along the a axis.http://scripts.iucr.org/cgi-bin/paper?S1600536814014706crystal structure |
| spellingShingle | Yoshinobu Ishikawa 6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde Acta Crystallographica Section E crystal structure |
| title | 6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde |
| title_full | 6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde |
| title_fullStr | 6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde |
| title_full_unstemmed | 6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde |
| title_short | 6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde |
| title_sort | 6 chloro 7 fluoro 4 oxo 4h chromene 3 carbaldehyde |
| topic | crystal structure |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536814014706 |
| work_keys_str_mv | AT yoshinobuishikawa 6chloro7fluoro4oxo4hchromene3carbaldehyde |