2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis
The title compound, C15H13ClO2S, comprises (4-chlorophenyl)sulfanyl, benzaldehyde and methoxy residues linked at a chiral methine-C atom (the crystal is racemic). A twist in the methine-C—C(carbonyl) bond [O—C—C—O torsion angle = 19.3 (7)⁰] leads to a dihedral angle of 22.2 (5)⁰ between the benzald...
| Main Authors: | , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2018
|
| Subjects: | |
| Online Access: | http://eprints.sunway.edu.my/807/ http://eprints.sunway.edu.my/807/1/Tiekink%20E%202-%5B%284-Chlorophenyl%29sulfanyl.pdf |
| _version_ | 1848801900495896576 |
|---|---|
| author | Caracelli, Ignez Zukerman-Schpector, Julio Traesel, Henrique J. Olivato, Paulo R. Jotani, Mukesh M. Tiekink, Edward R. T. * |
| author_facet | Caracelli, Ignez Zukerman-Schpector, Julio Traesel, Henrique J. Olivato, Paulo R. Jotani, Mukesh M. Tiekink, Edward R. T. * |
| author_sort | Caracelli, Ignez |
| building | SU Institutional Repository |
| collection | Online Access |
| description | The title compound, C15H13ClO2S, comprises (4-chlorophenyl)sulfanyl, benzaldehyde and methoxy residues linked at a chiral methine-C atom (the crystal is racemic). A twist in the methine-C—C(carbonyl) bond [O—C—C—O torsion
angle = 19.3 (7)⁰] leads to a dihedral angle of 22.2 (5)⁰ between the benzaldehyde and methine+methoxy residues. The chlorobenzene ring is folded to lie over the O atoms, with the dihedral angle between the benzene rings being
42.9 (2)⁰. In the crystal, the carbonyl-O atom accepts two C—H...O interactions with methyl- and methine-C—H atoms being the donors. The result is an helical
supramolecular chain aligned along the c axis; chains pack with no directional interactions between them. An analysis of the Hirshfeld surface points to the important contributions of weak H...H and C...C contacts to the molecular packing. |
| first_indexed | 2025-11-14T21:14:48Z |
| format | Article |
| id | sunway-807 |
| institution | Sunway University |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T21:14:48Z |
| publishDate | 2018 |
| publisher | International Union of Crystallography |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | sunway-8072020-10-07T09:14:57Z http://eprints.sunway.edu.my/807/ 2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis Caracelli, Ignez Zukerman-Schpector, Julio Traesel, Henrique J. Olivato, Paulo R. Jotani, Mukesh M. Tiekink, Edward R. T. * QD Chemistry The title compound, C15H13ClO2S, comprises (4-chlorophenyl)sulfanyl, benzaldehyde and methoxy residues linked at a chiral methine-C atom (the crystal is racemic). A twist in the methine-C—C(carbonyl) bond [O—C—C—O torsion angle = 19.3 (7)⁰] leads to a dihedral angle of 22.2 (5)⁰ between the benzaldehyde and methine+methoxy residues. The chlorobenzene ring is folded to lie over the O atoms, with the dihedral angle between the benzene rings being 42.9 (2)⁰. In the crystal, the carbonyl-O atom accepts two C—H...O interactions with methyl- and methine-C—H atoms being the donors. The result is an helical supramolecular chain aligned along the c axis; chains pack with no directional interactions between them. An analysis of the Hirshfeld surface points to the important contributions of weak H...H and C...C contacts to the molecular packing. International Union of Crystallography 2018 Article PeerReviewed text en cc_by_ncuk http://eprints.sunway.edu.my/807/1/Tiekink%20E%202-%5B%284-Chlorophenyl%29sulfanyl.pdf Caracelli, Ignez and Zukerman-Schpector, Julio and Traesel, Henrique J. and Olivato, Paulo R. and Jotani, Mukesh M. and Tiekink, Edward R. T. * (2018) 2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis. Acta Crystallographica Section E Crystallographic Communications, 74 (5). pp. 703-708. ISSN 2056-9890 http://doi.org/10.1107/S2056989018006072 doi:10.1107/S2056989018006072 |
| spellingShingle | QD Chemistry Caracelli, Ignez Zukerman-Schpector, Julio Traesel, Henrique J. Olivato, Paulo R. Jotani, Mukesh M. Tiekink, Edward R. T. * 2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis |
| title | 2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis |
| title_full | 2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis |
| title_fullStr | 2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis |
| title_full_unstemmed | 2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis |
| title_short | 2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis |
| title_sort | 2-[(4-chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and hirshfeld surface analysis |
| topic | QD Chemistry |
| url | http://eprints.sunway.edu.my/807/ http://eprints.sunway.edu.my/807/ http://eprints.sunway.edu.my/807/ http://eprints.sunway.edu.my/807/1/Tiekink%20E%202-%5B%284-Chlorophenyl%29sulfanyl.pdf |