Crystal structure of 2-methoxy-2-[(4-methylphenyl)sulfanyl]-1-phenylethan-1-one
In the title β-thiocarbonyl compound, C16H16O2S, the carbonyl and methoxy O atoms are approximately coplanar [O—C—C—O torsion angle = −18.2 (5)°] and syn to each other, and the tolyl ring is orientated to lie over them. The dihedral angle between the planes of the two rings is 44.03 (16)°. In the cr...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2015-01-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S205698901402550X |
| _version_ | 1818870286626324480 |
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| author | Julio Zukerman-Schpector Paulo R. Olivato Henrique J. Traesel Jéssica Valença Daniel N. S. Rodrigues Edward R. T. Tiekink |
| author_facet | Julio Zukerman-Schpector Paulo R. Olivato Henrique J. Traesel Jéssica Valença Daniel N. S. Rodrigues Edward R. T. Tiekink |
| author_sort | Julio Zukerman-Schpector |
| collection | DOAJ |
| description | In the title β-thiocarbonyl compound, C16H16O2S, the carbonyl and methoxy O atoms are approximately coplanar [O—C—C—O torsion angle = −18.2 (5)°] and syn to each other, and the tolyl ring is orientated to lie over them. The dihedral angle between the planes of the two rings is 44.03 (16)°. In the crystal, supramolecular chains are formed along the c axis mediated by C—H...O interactions involving methine and methyl H atoms as donors, with the carbonyl O atom accepting both bonds; these pack with no specific intermolecular interactions between them. |
| first_indexed | 2024-12-19T12:04:37Z |
| format | Article |
| id | doaj.art-e5d48f3ac7dc45079129b4967ba140b1 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-19T12:04:37Z |
| publishDate | 2015-01-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-e5d48f3ac7dc45079129b4967ba140b12022-12-21T20:22:23ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-01-01711o3o410.1107/S205698901402550Xhg5421Crystal structure of 2-methoxy-2-[(4-methylphenyl)sulfanyl]-1-phenylethan-1-oneJulio Zukerman-Schpector0Paulo R. Olivato1Henrique J. Traesel2Jéssica Valença3Daniel N. S. Rodrigues4Edward R. T. Tiekink5Departmento de Química, Universidade Federal de São Carlos, 13565-905 São Carlos, SP, BrazilInstituto de Química, Universidade de São Paulo, 05508-000 São Paulo, SP, BrazilInstituto de Química, Universidade de São Paulo, 05508-000 São Paulo, SP, BrazilInstituto de Química, Universidade de São Paulo, 05508-000 São Paulo, SP, BrazilInstituto de Química, Universidade de São Paulo, 05508-000 São Paulo, SP, BrazilDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, MalaysiaIn the title β-thiocarbonyl compound, C16H16O2S, the carbonyl and methoxy O atoms are approximately coplanar [O—C—C—O torsion angle = −18.2 (5)°] and syn to each other, and the tolyl ring is orientated to lie over them. The dihedral angle between the planes of the two rings is 44.03 (16)°. In the crystal, supramolecular chains are formed along the c axis mediated by C—H...O interactions involving methine and methyl H atoms as donors, with the carbonyl O atom accepting both bonds; these pack with no specific intermolecular interactions between them.http://scripts.iucr.org/cgi-bin/paper?S205698901402550Xcrystal structureβ-thiocarbonylC—H...O interactions |
| spellingShingle | Julio Zukerman-Schpector Paulo R. Olivato Henrique J. Traesel Jéssica Valença Daniel N. S. Rodrigues Edward R. T. Tiekink Crystal structure of 2-methoxy-2-[(4-methylphenyl)sulfanyl]-1-phenylethan-1-one Acta Crystallographica Section E: Crystallographic Communications crystal structure β-thiocarbonyl C—H...O interactions |
| title | Crystal structure of 2-methoxy-2-[(4-methylphenyl)sulfanyl]-1-phenylethan-1-one |
| title_full | Crystal structure of 2-methoxy-2-[(4-methylphenyl)sulfanyl]-1-phenylethan-1-one |
| title_fullStr | Crystal structure of 2-methoxy-2-[(4-methylphenyl)sulfanyl]-1-phenylethan-1-one |
| title_full_unstemmed | Crystal structure of 2-methoxy-2-[(4-methylphenyl)sulfanyl]-1-phenylethan-1-one |
| title_short | Crystal structure of 2-methoxy-2-[(4-methylphenyl)sulfanyl]-1-phenylethan-1-one |
| title_sort | crystal structure of 2 methoxy 2 4 methylphenyl sulfanyl 1 phenylethan 1 one |
| topic | crystal structure β-thiocarbonyl C—H...O interactions |
| url | http://scripts.iucr.org/cgi-bin/paper?S205698901402550X |
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