Crystal structure of 3-bromoacetyl-6-chloro-2H-1-benzopyran-2-one
In the title compound, C11H6BrClO3, the benzopyran ring system is essentially planar, with a maximum deviation of 0.036 (2) Å for the O atom. The Cl and Br atoms are displaced by −0.0526 (8) and 0.6698 (3) Å, respectively, from the mean plane of this ring system. In the crystal, two pairs of weak C—...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2015-08-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989015012955 |
| _version_ | 1819002143639601152 |
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| author | Ramanaiah Chennuru Balaji Maddimsetti Suman Gundlapalli R. Ravi Chandra Babu Sudarshan Mahapatra |
| author_facet | Ramanaiah Chennuru Balaji Maddimsetti Suman Gundlapalli R. Ravi Chandra Babu Sudarshan Mahapatra |
| author_sort | Ramanaiah Chennuru |
| collection | DOAJ |
| description | In the title compound, C11H6BrClO3, the benzopyran ring system is essentially planar, with a maximum deviation of 0.036 (2) Å for the O atom. The Cl and Br atoms are displaced by −0.0526 (8) and 0.6698 (3) Å, respectively, from the mean plane of this ring system. In the crystal, two pairs of weak C—H...O hydrogen bonds to the same acceptor O atom link molecules into inversion dimers. |
| first_indexed | 2024-12-20T23:00:25Z |
| format | Article |
| id | doaj.art-d12a8852d80c4d6ca0291cc1beed3d00 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-20T23:00:25Z |
| publishDate | 2015-08-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-d12a8852d80c4d6ca0291cc1beed3d002022-12-21T19:24:01ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-08-01718o615o61610.1107/S2056989015012955lh5773Crystal structure of 3-bromoacetyl-6-chloro-2H-1-benzopyran-2-oneRamanaiah Chennuru0Balaji Maddimsetti1Suman Gundlapalli2R. Ravi Chandra Babu3Sudarshan Mahapatra4Dr Reddys Laboratory, Innovation Plaza, IPDO, Bachupally, Hyderabad 500 090, IndiaDr Reddys Laboratory, Innovation Plaza, IPDO, Bachupally, Hyderabad 500 090, IndiaGITAM University, Department of Chemistry, College of Science, Vishakapatnam, Andhrapradesh, IndiaGITAM University, Department of Chemistry, College of Science, Vishakapatnam, Andhrapradesh, IndiaDr Reddys Laboratory, Innovation Plaza, IPDO, Bachupally, Hyderabad 500 090, IndiaIn the title compound, C11H6BrClO3, the benzopyran ring system is essentially planar, with a maximum deviation of 0.036 (2) Å for the O atom. The Cl and Br atoms are displaced by −0.0526 (8) and 0.6698 (3) Å, respectively, from the mean plane of this ring system. In the crystal, two pairs of weak C—H...O hydrogen bonds to the same acceptor O atom link molecules into inversion dimers.http://scripts.iucr.org/cgi-bin/paper?S2056989015012955crystal structurecoumarinhydrogen bonding |
| spellingShingle | Ramanaiah Chennuru Balaji Maddimsetti Suman Gundlapalli R. Ravi Chandra Babu Sudarshan Mahapatra Crystal structure of 3-bromoacetyl-6-chloro-2H-1-benzopyran-2-one Acta Crystallographica Section E: Crystallographic Communications crystal structure coumarin hydrogen bonding |
| title | Crystal structure of 3-bromoacetyl-6-chloro-2H-1-benzopyran-2-one |
| title_full | Crystal structure of 3-bromoacetyl-6-chloro-2H-1-benzopyran-2-one |
| title_fullStr | Crystal structure of 3-bromoacetyl-6-chloro-2H-1-benzopyran-2-one |
| title_full_unstemmed | Crystal structure of 3-bromoacetyl-6-chloro-2H-1-benzopyran-2-one |
| title_short | Crystal structure of 3-bromoacetyl-6-chloro-2H-1-benzopyran-2-one |
| title_sort | crystal structure of 3 bromoacetyl 6 chloro 2h 1 benzopyran 2 one |
| topic | crystal structure coumarin hydrogen bonding |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989015012955 |
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