Crystal structure of dimethyl 4,4′-dimethoxybiphenyl-3,3′-dicarboxylate
In the title compound, C18H18O6, the benzene rings are coplanar due to the centrosymmetric nature of the molecule, with an inversion centre located at the midpoint of the C—C bond between the two rings. Consequently, the methyl carboxylate substituents are oriented in a trans fashion with regards to...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2016-03-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989016002449 |
| _version_ | 1819290372917952512 |
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| author | Fredrik Lundvall Pascal D. C. Dietzel Helmer Fjellvåg |
| author_facet | Fredrik Lundvall Pascal D. C. Dietzel Helmer Fjellvåg |
| author_sort | Fredrik Lundvall |
| collection | DOAJ |
| description | In the title compound, C18H18O6, the benzene rings are coplanar due to the centrosymmetric nature of the molecule, with an inversion centre located at the midpoint of the C—C bond between the two rings. Consequently, the methyl carboxylate substituents are oriented in a trans fashion with regards to the bond between the benzene rings. The methyl carboxylate and methoxy substituents are rotated slightly out of plane relative to their parent benzene rings, with dihedral and torsion angles of 18.52 (8) and −5.22 (15)°, respectively. The shortest O...H contact between neighbouring molecules is about 2.5 Å. Although some structure-directing contributions from C—H...O hydrogen-bonding interactions are possible, the crystal packing seems primarily directed by weak van der Waals forces. |
| first_indexed | 2024-12-24T03:21:42Z |
| format | Article |
| id | doaj.art-021a1320dbca4ba9ab541eb2392e1bd2 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-24T03:21:42Z |
| publishDate | 2016-03-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-021a1320dbca4ba9ab541eb2392e1bd22022-12-21T17:17:28ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902016-03-0172332833010.1107/S2056989016002449wm5270Crystal structure of dimethyl 4,4′-dimethoxybiphenyl-3,3′-dicarboxylateFredrik Lundvall0Pascal D. C. Dietzel1Helmer Fjellvåg2Centre for Materials Science and Nanotechnology, Department of Chemistry, University of Oslo, PO Box 1126, 0315 Oslo, NorwayDepartment of Chemistry, University of Bergen, PO Box 7803, 5020 Bergen, NorwayCentre for Materials Science and Nanotechnology, Department of Chemistry, University of Oslo, PO Box 1126, 0315 Oslo, NorwayIn the title compound, C18H18O6, the benzene rings are coplanar due to the centrosymmetric nature of the molecule, with an inversion centre located at the midpoint of the C—C bond between the two rings. Consequently, the methyl carboxylate substituents are oriented in a trans fashion with regards to the bond between the benzene rings. The methyl carboxylate and methoxy substituents are rotated slightly out of plane relative to their parent benzene rings, with dihedral and torsion angles of 18.52 (8) and −5.22 (15)°, respectively. The shortest O...H contact between neighbouring molecules is about 2.5 Å. Although some structure-directing contributions from C—H...O hydrogen-bonding interactions are possible, the crystal packing seems primarily directed by weak van der Waals forces.http://scripts.iucr.org/cgi-bin/paper?S2056989016002449crystal structureintermediate compound for organic linkers in MOF synthesiscentrosymmetric molecule |
| spellingShingle | Fredrik Lundvall Pascal D. C. Dietzel Helmer Fjellvåg Crystal structure of dimethyl 4,4′-dimethoxybiphenyl-3,3′-dicarboxylate Acta Crystallographica Section E: Crystallographic Communications crystal structure intermediate compound for organic linkers in MOF synthesis centrosymmetric molecule |
| title | Crystal structure of dimethyl 4,4′-dimethoxybiphenyl-3,3′-dicarboxylate |
| title_full | Crystal structure of dimethyl 4,4′-dimethoxybiphenyl-3,3′-dicarboxylate |
| title_fullStr | Crystal structure of dimethyl 4,4′-dimethoxybiphenyl-3,3′-dicarboxylate |
| title_full_unstemmed | Crystal structure of dimethyl 4,4′-dimethoxybiphenyl-3,3′-dicarboxylate |
| title_short | Crystal structure of dimethyl 4,4′-dimethoxybiphenyl-3,3′-dicarboxylate |
| title_sort | crystal structure of dimethyl 4 4 dimethoxybiphenyl 3 3 dicarboxylate |
| topic | crystal structure intermediate compound for organic linkers in MOF synthesis centrosymmetric molecule |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989016002449 |
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