4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenylsulfanyl)propyl]-4,5-dihydro-1,3-oxazole
In the title compound, C20H22N2O3S, the oxazoline ring is planar (r.m.s. deviation = 0.045 Å) and forms dihedral angles of 47.24 (8) and 10.11 (8)° with the S- and C-bound phenyl rings, respectively. The nitro group lies to the same...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2012-04-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812012512 |
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doaj-b7de12386eda45649e87957dd148bf752020-11-24T22:09:24ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-04-01684o1225o122610.1107/S16005368120125124,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenylsulfanyl)propyl]-4,5-dihydro-1,3-oxazoleIgnez CaracelliJulio Zukerman-SchpectorJosé A. F. P. VillarAlfredo R. M. OliveiraEdward R. T. TiekinkIn the title compound, C20H22N2O3S, the oxazoline ring is planar (r.m.s. deviation = 0.045 Å) and forms dihedral angles of 47.24 (8) and 10.11 (8)° with the S- and C-bound phenyl rings, respectively. The nitro group lies to the same side of the molecule as the oxazoline ring but is orientated so as not to interact with the ring. Linear supramolecular chains along [010] are formed via C—H...O and C—H...S contacts. Chains are consolidated into a three-dimensional architecture by C—H...π and van der Waals interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536812012512 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Ignez Caracelli Julio Zukerman-Schpector José A. F. P. Villar Alfredo R. M. Oliveira Edward R. T. Tiekink |
| spellingShingle |
Ignez Caracelli Julio Zukerman-Schpector José A. F. P. Villar Alfredo R. M. Oliveira Edward R. T. Tiekink 4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenylsulfanyl)propyl]-4,5-dihydro-1,3-oxazole Acta Crystallographica Section E |
| author_facet |
Ignez Caracelli Julio Zukerman-Schpector José A. F. P. Villar Alfredo R. M. Oliveira Edward R. T. Tiekink |
| author_sort |
Ignez Caracelli |
| title |
4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenylsulfanyl)propyl]-4,5-dihydro-1,3-oxazole |
| title_short |
4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenylsulfanyl)propyl]-4,5-dihydro-1,3-oxazole |
| title_full |
4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenylsulfanyl)propyl]-4,5-dihydro-1,3-oxazole |
| title_fullStr |
4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenylsulfanyl)propyl]-4,5-dihydro-1,3-oxazole |
| title_full_unstemmed |
4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenylsulfanyl)propyl]-4,5-dihydro-1,3-oxazole |
| title_sort |
4,4-dimethyl-2-[3-nitro-2-phenyl-1-(phenylsulfanyl)propyl]-4,5-dihydro-1,3-oxazole |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E |
| issn |
1600-5368 |
| publishDate |
2012-04-01 |
| description |
In the title compound, C20H22N2O3S, the oxazoline ring is planar (r.m.s. deviation = 0.045 Å) and forms dihedral angles of 47.24 (8) and 10.11 (8)° with the S- and C-bound phenyl rings, respectively. The nitro group lies to the same side of the molecule as the oxazoline ring but is orientated so as not to interact with the ring. Linear supramolecular chains along [010] are formed via C—H...O and C—H...S contacts. Chains are consolidated into a three-dimensional architecture by C—H...π and van der Waals interactions. |
| url |
http://scripts.iucr.org/cgi-bin/paper?S1600536812012512 |
| work_keys_str_mv |
AT ignezcaracelli 44dimethyl23nitro2phenyl1phenylsulfanylpropyl45dihydro13oxazole AT juliozukermanschpector 44dimethyl23nitro2phenyl1phenylsulfanylpropyl45dihydro13oxazole AT josamp233afpvillar 44dimethyl23nitro2phenyl1phenylsulfanylpropyl45dihydro13oxazole AT alfredormoliveira 44dimethyl23nitro2phenyl1phenylsulfanylpropyl45dihydro13oxazole AT edwardrttiekink 44dimethyl23nitro2phenyl1phenylsulfanylpropyl45dihydro13oxazole |
| _version_ |
1725812045686767616 |