Crystal structures and Hirshfeld surface analyses of diphenylmethyl 2-(3,5-dimethoxyphenyl)acetate and diphenylmethyl 2-(3,4,5-trimethoxyphenyl)acetate
The title compounds, C23H22O4, (I), and C24H24O5, (II), differ in the presence of a methoxy group instead of a hydrogen atom between two methoxy groups attached to the phenyl ring of the phenyl acetate moiety, which affects not only the symmetry and number of formula units [triclinic, P1, Z = 2 for...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2025-07-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | https://journals.iucr.org/paper?S2056989025004943 |
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| Summary: | The title compounds, C23H22O4, (I), and C24H24O5, (II), differ in the presence of a methoxy group instead of a hydrogen atom between two methoxy groups attached to the phenyl ring of the phenyl acetate moiety, which affects not only the symmetry and number of formula units [triclinic, P1, Z = 2 for (I); monoclinic, P21/n, Z = 4 for (II)], but also the molecular conformations. An overlay of the two molecular structures reveals a large root-mean-square-deviation of 2.4 Å. Intra and intermolecular C—H...O hydrogen bonds are responsible for the consolidation of the molecular conformations and the crystal packing of both structures. Their intermolecular interactions were quantified and analysed using Hirshfeld surface analysis, revealing that H...H interactions contribute most to the crystal packing. |
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| ISSN: | 2056-9890 |