Synthesis and structure of 4-bromo-2-chlorophenyl 4′-methoxy-[1,1′-biphenyl]-4-carboxylate featuring short halogen...oxygen contacts
In the title compound, C20H14BrClO3, the dihedral angles between the aromatic ring of the 4-bromo-2-chlorophenyl and the immediate neighbour and second aromatic ring of the biphenyl moiety are 80.59 (2) and 75.42 (2)°, respectively. The dihedral angle between the rings within the biphenyl moiety is...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2025-05-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | https://journals.iucr.org/paper?S2056989025002658 |
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| Summary: | In the title compound, C20H14BrClO3, the dihedral angles between the aromatic ring of the 4-bromo-2-chlorophenyl and the immediate neighbour and second aromatic ring of the biphenyl moiety are 80.59 (2) and 75.42 (2)°, respectively. The dihedral angle between the rings within the biphenyl moiety is 24.57 (4)°. The torsion angle associated with the ester group linking the biphenyl ring and the 4-bromo-2-chlorophenyl group is −166.6 (2)°. The extended structure features short halogen...oxygen contacts [Cl...O = 2.991 (3), Br...O = 3.139 (2) Å], forming molecular sheets lying parallel to (101). The Hirshfeld surface analysis reveals that the major contributions to the intermolecular interactions are from C...H/H...C (32.2%), H...H/H...H (26.3%), Br...H/H...Br (10.7%), O...H/H...O (10.4%) and Cl...H/H...Cl (7.5%) contacts. |
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| ISSN: | 2056-9890 |