(2S,3S)-3-(3-Bromophenyl)-6,6-dimethyl-2-nitro-2,3,6,7-tetrahydrobenzofuran-4(5H)-one
The title compound, C16H16BrNO4, has two adjacent chiral C atoms and both have an S configuration. The fused cyclohex-2-enone and dihydrofuran rings both adopt envelope conformations, with the quaternary C atom and the nitro-substituted C atoms as the respective flap. The flap atoms lie 0.607...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2013-08-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S160053681301920X |
| _version_ | 1819289275597848576 |
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| author | Danqian Xu Kun Dong Minjie Yao Yifeng Wang |
| author_facet | Danqian Xu Kun Dong Minjie Yao Yifeng Wang |
| author_sort | Danqian Xu |
| collection | DOAJ |
| description | The title compound, C16H16BrNO4, has two adjacent chiral C atoms and both have an S configuration. The fused cyclohex-2-enone and dihydrofuran rings both adopt envelope conformations, with the quaternary C atom and the nitro-substituted C atoms as the respective flap. The flap atoms lie 0.607 (3) and −0.253 (2) Å, respectively, from the mean plane of the remaining ring atoms on opposite sides. The dihedral angle between the mean plane of the four coplanar atoms of the dihydrofuran ring and the phenyl ring is 86.16 (3)°. In the crystal, molecules are linked by weak C—H...O interactions, forming a ladder motif parallel to the b axis. |
| first_indexed | 2024-12-24T03:04:16Z |
| format | Article |
| id | doaj.art-8fdb341c16414b859539ed39bcb8abd3 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T03:04:16Z |
| publishDate | 2013-08-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-8fdb341c16414b859539ed39bcb8abd32022-12-21T17:18:04ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-08-01698o1270o127010.1107/S160053681301920X(2S,3S)-3-(3-Bromophenyl)-6,6-dimethyl-2-nitro-2,3,6,7-tetrahydrobenzofuran-4(5H)-oneDanqian XuKun DongMinjie YaoYifeng WangThe title compound, C16H16BrNO4, has two adjacent chiral C atoms and both have an S configuration. The fused cyclohex-2-enone and dihydrofuran rings both adopt envelope conformations, with the quaternary C atom and the nitro-substituted C atoms as the respective flap. The flap atoms lie 0.607 (3) and −0.253 (2) Å, respectively, from the mean plane of the remaining ring atoms on opposite sides. The dihedral angle between the mean plane of the four coplanar atoms of the dihydrofuran ring and the phenyl ring is 86.16 (3)°. In the crystal, molecules are linked by weak C—H...O interactions, forming a ladder motif parallel to the b axis.http://scripts.iucr.org/cgi-bin/paper?S160053681301920X |
| spellingShingle | Danqian Xu Kun Dong Minjie Yao Yifeng Wang (2S,3S)-3-(3-Bromophenyl)-6,6-dimethyl-2-nitro-2,3,6,7-tetrahydrobenzofuran-4(5H)-one Acta Crystallographica Section E |
| title | (2S,3S)-3-(3-Bromophenyl)-6,6-dimethyl-2-nitro-2,3,6,7-tetrahydrobenzofuran-4(5H)-one |
| title_full | (2S,3S)-3-(3-Bromophenyl)-6,6-dimethyl-2-nitro-2,3,6,7-tetrahydrobenzofuran-4(5H)-one |
| title_fullStr | (2S,3S)-3-(3-Bromophenyl)-6,6-dimethyl-2-nitro-2,3,6,7-tetrahydrobenzofuran-4(5H)-one |
| title_full_unstemmed | (2S,3S)-3-(3-Bromophenyl)-6,6-dimethyl-2-nitro-2,3,6,7-tetrahydrobenzofuran-4(5H)-one |
| title_short | (2S,3S)-3-(3-Bromophenyl)-6,6-dimethyl-2-nitro-2,3,6,7-tetrahydrobenzofuran-4(5H)-one |
| title_sort | 2s 3s 3 3 bromophenyl 6 6 dimethyl 2 nitro 2 3 6 7 tetrahydrobenzofuran 4 5h one |
| url | http://scripts.iucr.org/cgi-bin/paper?S160053681301920X |
| work_keys_str_mv | AT danqianxu 2s3s33bromophenyl66dimethyl2nitro2367tetrahydrobenzofuran45hone AT kundong 2s3s33bromophenyl66dimethyl2nitro2367tetrahydrobenzofuran45hone AT minjieyao 2s3s33bromophenyl66dimethyl2nitro2367tetrahydrobenzofuran45hone AT yifengwang 2s3s33bromophenyl66dimethyl2nitro2367tetrahydrobenzofuran45hone |