Benzene-1,3,5-triyl triacetate
The asymmetric unit of the title compound, C12H12O6, contains two essentially identical molecules related by a pseudo-inversion centre. The three acetoxy groups in each molecule are essentially planar and are tilted, in a regular propeller-style arrangement, with their normals oriented between 56.72...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2009-12-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536809050016 |
| _version_ | 1818282719771099136 |
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| author | David L. Hughes Alan H. Haines |
| author_facet | David L. Hughes Alan H. Haines |
| author_sort | David L. Hughes |
| collection | DOAJ |
| description | The asymmetric unit of the title compound, C12H12O6, contains two essentially identical molecules related by a pseudo-inversion centre. The three acetoxy groups in each molecule are essentially planar and are tilted, in a regular propeller-style arrangement, with their normals oriented between 56.72 (12) and 76.35 (9)° from the normal to the mean plane of the central C6 ring; in each molecule the three carbonyl O atoms are on the same side of the C6 ring, with the Cring—O—C—Me bonds in a trans conformation. The principal intermolecular contacts appear to be C—H...π-ring interactions; each C6 ring has such a contact to both faces of the ring; in addition, each molecule has two intermolecular C—H...O contacts with H...O distances less than 2.55 Å. |
| first_indexed | 2024-12-13T00:25:29Z |
| format | Article |
| id | doaj.art-225c5294ddcf40158efacd1b74148111 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-13T00:25:29Z |
| publishDate | 2009-12-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-225c5294ddcf40158efacd1b741481112022-12-22T00:05:26ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-12-016512o3279o327910.1107/S1600536809050016Benzene-1,3,5-triyl triacetateDavid L. HughesAlan H. HainesThe asymmetric unit of the title compound, C12H12O6, contains two essentially identical molecules related by a pseudo-inversion centre. The three acetoxy groups in each molecule are essentially planar and are tilted, in a regular propeller-style arrangement, with their normals oriented between 56.72 (12) and 76.35 (9)° from the normal to the mean plane of the central C6 ring; in each molecule the three carbonyl O atoms are on the same side of the C6 ring, with the Cring—O—C—Me bonds in a trans conformation. The principal intermolecular contacts appear to be C—H...π-ring interactions; each C6 ring has such a contact to both faces of the ring; in addition, each molecule has two intermolecular C—H...O contacts with H...O distances less than 2.55 Å.http://scripts.iucr.org/cgi-bin/paper?S1600536809050016 |
| spellingShingle | David L. Hughes Alan H. Haines Benzene-1,3,5-triyl triacetate Acta Crystallographica Section E |
| title | Benzene-1,3,5-triyl triacetate |
| title_full | Benzene-1,3,5-triyl triacetate |
| title_fullStr | Benzene-1,3,5-triyl triacetate |
| title_full_unstemmed | Benzene-1,3,5-triyl triacetate |
| title_short | Benzene-1,3,5-triyl triacetate |
| title_sort | benzene 1 3 5 triyl triacetate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536809050016 |
| work_keys_str_mv | AT davidlhughes benzene135triyltriacetate AT alanhhaines benzene135triyltriacetate |