2-Methyl-2-(3-nitrophenyl)-1,3-dithiane

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F70883521%3A28110%2F12%3A43868133" target="_blank" >RIV/70883521:28110/12:43868133 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1107/S1600536812022283" target="_blank" >http://dx.doi.org/10.1107/S1600536812022283</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1107/S1600536812022283" target="_blank" >10.1107/S1600536812022283</a>

Result language
angličtina
Original language name
2-Methyl-2-(3-nitrophenyl)-1,3-dithiane
Original language 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) ?, = 6.71 (13) and ? = 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.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CC - Organic chemistry
OECD FORD branch
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Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical
Acta Crystallographica Section E - Structure Reports Online
ISSN
1600-5368
e-ISSN
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Volume of the periodical
68
Issue of the periodical within the volume
6
Country of publishing house
DK - DENMARK
Number of pages
6
Pages from-to
"o1827 sup1"-"sup5"
UT code for WoS article
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EID of the result in the Scopus database
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