Ethyl 2,6-bis(4-bromophenyl)-1-isocyano-4-oxocyclohexanecarboxylate
In the title compound, C22H19Br2NO3, the central oxocyclohexane ring is in a twist-boat conformation; all the substituents (one ethoxycarbonyl and two aryl groups) are located in equatorial orientations. One of the –CH2– groups and the opposite –CH– group bearing a bromobenzene substituent form the...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2014-08-01
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| Series: | Acta Crystallographica Section E |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S160053681401530X |
| _version_ | 1818321550245363712 |
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| author | Dawei Zhang Linlin Hao Jing Li |
| author_facet | Dawei Zhang Linlin Hao Jing Li |
| author_sort | Dawei Zhang |
| collection | DOAJ |
| description | In the title compound, C22H19Br2NO3, the central oxocyclohexane ring is in a twist-boat conformation; all the substituents (one ethoxycarbonyl and two aryl groups) are located in equatorial orientations. One of the –CH2– groups and the opposite –CH– group bearing a bromobenzene substituent form the flagpoles of the twist-boat. The dihedral angle between the aromatic rings is 76.4 (4)°. In the crystal, weak C—H...O interactions link the molecules into C(5) chains propagating in the [010] direction. A short Br...O contact of 3.254 (4) Å is observed. |
| first_indexed | 2024-12-13T10:42:41Z |
| format | Article |
| id | doaj.art-82dee82ba8a845dfa7ab8814abc906f1 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-13T10:42:41Z |
| publishDate | 2014-08-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-82dee82ba8a845dfa7ab8814abc906f12022-12-21T23:50:24ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-08-01708o856o85610.1107/S160053681401530Xhb7238Ethyl 2,6-bis(4-bromophenyl)-1-isocyano-4-oxocyclohexanecarboxylateDawei Zhang0Linlin Hao1Jing Li2College of Agricultural Sciences, Jilin University, Changchun, Jilin Province 130062, People's Republic of ChinaCollege of Agricultural Sciences, Jilin University, Changchun, Jilin Province 130062, People's Republic of ChinaCollege of Life Sciences and Biotechnology, Heilongjiang Bayi Agricultural University, Heilongjiang Province 163319, People's Republic of ChinaIn the title compound, C22H19Br2NO3, the central oxocyclohexane ring is in a twist-boat conformation; all the substituents (one ethoxycarbonyl and two aryl groups) are located in equatorial orientations. One of the –CH2– groups and the opposite –CH– group bearing a bromobenzene substituent form the flagpoles of the twist-boat. The dihedral angle between the aromatic rings is 76.4 (4)°. In the crystal, weak C—H...O interactions link the molecules into C(5) chains propagating in the [010] direction. A short Br...O contact of 3.254 (4) Å is observed.http://scripts.iucr.org/cgi-bin/paper?S160053681401530Xcrystal structure |
| spellingShingle | Dawei Zhang Linlin Hao Jing Li Ethyl 2,6-bis(4-bromophenyl)-1-isocyano-4-oxocyclohexanecarboxylate Acta Crystallographica Section E crystal structure |
| title | Ethyl 2,6-bis(4-bromophenyl)-1-isocyano-4-oxocyclohexanecarboxylate |
| title_full | Ethyl 2,6-bis(4-bromophenyl)-1-isocyano-4-oxocyclohexanecarboxylate |
| title_fullStr | Ethyl 2,6-bis(4-bromophenyl)-1-isocyano-4-oxocyclohexanecarboxylate |
| title_full_unstemmed | Ethyl 2,6-bis(4-bromophenyl)-1-isocyano-4-oxocyclohexanecarboxylate |
| title_short | Ethyl 2,6-bis(4-bromophenyl)-1-isocyano-4-oxocyclohexanecarboxylate |
| title_sort | ethyl 2 6 bis 4 bromophenyl 1 isocyano 4 oxocyclohexanecarboxylate |
| topic | crystal structure |
| url | http://scripts.iucr.org/cgi-bin/paper?S160053681401530X |
| work_keys_str_mv | AT daweizhang ethyl26bis4bromophenyl1isocyano4oxocyclohexanecarboxylate AT linlinhao ethyl26bis4bromophenyl1isocyano4oxocyclohexanecarboxylate AT jingli ethyl26bis4bromophenyl1isocyano4oxocyclohexanecarboxylate |