2-Oxo-2H-chromen-4-yl 4-tert-butylbenzoate
In the title molecule, C20H18O4, the three methyl groups of the tert-butyl substituent show rotational disorder. Each methyl group is split over three positions, with refined site-occupation factors of 0.711 (4), 0.146 (3) and 0.144 (4). The benzene ring of...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2012-02-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S160053681200298X |
| _version_ | 1798017114563411968 |
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| author | Akoun Abou Bintou Sessouma Abdoulaye Djandé Adama Saba Rita Kakou-Yao |
| author_facet | Akoun Abou Bintou Sessouma Abdoulaye Djandé Adama Saba Rita Kakou-Yao |
| author_sort | Akoun Abou |
| collection | DOAJ |
| description | In the title molecule, C20H18O4, the three methyl groups of the tert-butyl substituent show rotational disorder. Each methyl group is split over three positions, with refined site-occupation factors of 0.711 (4), 0.146 (3) and 0.144 (4). The benzene ring of the benzoate group is oriented at a dihedral angle of 60.70 (7)° with respect to the planar chromene ring [maximum deviation = 0.046 (2) Å]. The crystal structure features centrosymmetric R22(8) dimers formed via C—H...O interactions, and these dimeric aggregates are connected by C—H...π interactions. |
| first_indexed | 2024-04-11T16:01:34Z |
| format | Article |
| id | doaj.art-838b1cca1ad143e0afd0adaeb4a5579e |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-04-11T16:01:34Z |
| publishDate | 2012-02-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-838b1cca1ad143e0afd0adaeb4a5579e2022-12-22T04:15:01ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-02-01682o537o53810.1107/S160053681200298X2-Oxo-2H-chromen-4-yl 4-tert-butylbenzoateAkoun AbouBintou SessoumaAbdoulaye DjandéAdama SabaRita Kakou-YaoIn the title molecule, C20H18O4, the three methyl groups of the tert-butyl substituent show rotational disorder. Each methyl group is split over three positions, with refined site-occupation factors of 0.711 (4), 0.146 (3) and 0.144 (4). The benzene ring of the benzoate group is oriented at a dihedral angle of 60.70 (7)° with respect to the planar chromene ring [maximum deviation = 0.046 (2) Å]. The crystal structure features centrosymmetric R22(8) dimers formed via C—H...O interactions, and these dimeric aggregates are connected by C—H...π interactions.http://scripts.iucr.org/cgi-bin/paper?S160053681200298X |
| spellingShingle | Akoun Abou Bintou Sessouma Abdoulaye Djandé Adama Saba Rita Kakou-Yao 2-Oxo-2H-chromen-4-yl 4-tert-butylbenzoate Acta Crystallographica Section E |
| title | 2-Oxo-2H-chromen-4-yl 4-tert-butylbenzoate |
| title_full | 2-Oxo-2H-chromen-4-yl 4-tert-butylbenzoate |
| title_fullStr | 2-Oxo-2H-chromen-4-yl 4-tert-butylbenzoate |
| title_full_unstemmed | 2-Oxo-2H-chromen-4-yl 4-tert-butylbenzoate |
| title_short | 2-Oxo-2H-chromen-4-yl 4-tert-butylbenzoate |
| title_sort | 2 oxo 2h chromen 4 yl 4 tert butylbenzoate |
| url | http://scripts.iucr.org/cgi-bin/paper?S160053681200298X |
| work_keys_str_mv | AT akounabou 2oxo2hchromen4yl4tertbutylbenzoate AT bintousessouma 2oxo2hchromen4yl4tertbutylbenzoate AT abdoulayedjandamp233 2oxo2hchromen4yl4tertbutylbenzoate AT adamasaba 2oxo2hchromen4yl4tertbutylbenzoate AT ritakakouyao 2oxo2hchromen4yl4tertbutylbenzoate |