2-Methyl-2-(3-nitrophenyl)-1,3-dithiane
The title compound, C11H13NO2S2, contains a 1,3-dithiane ring in an almost ideal chair conformation with the following puckering parameters: Q = 0.7252 (15) Å, θ = 6.71 (13) and ϕ = 50.4 (11)°...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2012-06-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812022283 |
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doaj-7de3d8dbf3bc43dbad254103fc6b5f082020-11-25T01:50:51ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-06-01686o1827o182710.1107/S16005368120222832-Methyl-2-(3-nitrophenyl)-1,3-dithianePavla MirošováMarek NečasRobert VíchaThe title compound, C11H13NO2S2, contains a 1,3-dithiane ring in an almost ideal chair conformation with the following puckering parameters: Q = 0.7252 (15) Å, θ = 6.71 (13) and ϕ = 50.4 (11)°. The benzene ring occupies an axial position at the dithiane ring. The nitro group is almost coplanar with the benzene ring [O—N—C—C = −3.2 (2)°]. The molecule has an L-shape with a C—C—C—C torsion angle of −74.15 (17)° for the atoms of the methyl group and the dithiane–benzene linkage. The crystal packing is stabilized only via weak non-specific van der Waals interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536812022283 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Pavla Mirošová Marek Nečas Robert Vícha |
| spellingShingle |
Pavla Mirošová Marek Nečas Robert Vícha 2-Methyl-2-(3-nitrophenyl)-1,3-dithiane Acta Crystallographica Section E |
| author_facet |
Pavla Mirošová Marek Nečas Robert Vícha |
| author_sort |
Pavla Mirošová |
| title |
2-Methyl-2-(3-nitrophenyl)-1,3-dithiane |
| title_short |
2-Methyl-2-(3-nitrophenyl)-1,3-dithiane |
| title_full |
2-Methyl-2-(3-nitrophenyl)-1,3-dithiane |
| title_fullStr |
2-Methyl-2-(3-nitrophenyl)-1,3-dithiane |
| title_full_unstemmed |
2-Methyl-2-(3-nitrophenyl)-1,3-dithiane |
| title_sort |
2-methyl-2-(3-nitrophenyl)-1,3-dithiane |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E |
| issn |
1600-5368 |
| publishDate |
2012-06-01 |
| description |
The title compound, C11H13NO2S2, contains a 1,3-dithiane ring in an almost ideal chair conformation with the following puckering parameters: Q = 0.7252 (15) Å, θ = 6.71 (13) and ϕ = 50.4 (11)°. The benzene ring occupies an axial position at the dithiane ring. The nitro group is almost coplanar with the benzene ring [O—N—C—C = −3.2 (2)°]. The molecule has an L-shape with a C—C—C—C torsion angle of −74.15 (17)° for the atoms of the methyl group and the dithiane–benzene linkage. The crystal packing is stabilized only via weak non-specific van der Waals interactions. |
| url |
http://scripts.iucr.org/cgi-bin/paper?S1600536812022283 |
| work_keys_str_mv |
AT pavlamiroamp353ovamp225 2methyl23nitrophenyl13dithiane AT marekneamp269as 2methyl23nitrophenyl13dithiane AT robertvamp237cha 2methyl23nitrophenyl13dithiane |
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1725000155643510784 |