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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International Union of Crystallography
2015-01-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S205698901402550X |
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doaj-e5d48f3ac7dc45079129b4967ba140b12020-11-24T22:59:59ZengInternational 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 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Julio Zukerman-Schpector Paulo R. Olivato Henrique J. Traesel Jéssica Valença Daniel N. S. Rodrigues Edward R. T. Tiekink |
| 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 |
| 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 |
| title |
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_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_sort |
crystal structure of 2-methoxy-2-[(4-methylphenyl)sulfanyl]-1-phenylethan-1-one |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E: Crystallographic Communications |
| issn |
2056-9890 |
| publishDate |
2015-01-01 |
| 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. |
| topic |
crystal structure β-thiocarbonyl C—H...O interactions |
| url |
http://scripts.iucr.org/cgi-bin/paper?S205698901402550X |
| work_keys_str_mv |
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