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Benzyl 2-(4-bromoanilino)-4,4-dimethyl-6-oxocyclohex-1-enecarbodithioate: second triclinic polymorph
The title structure, C(22)H(22)BrNOS(2), is a triclinic modification. Whereas the other reported modification crystallizes with just one molecule in the asymmetric unit, the present modification has Z′ = 2. The six-membered cyclohexene ring adopts an envelope conformation, with the C atom bearing...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968632/ https://www.ncbi.nlm.nih.gov/pubmed/21582252 http://dx.doi.org/10.1107/S1600536809006151 |
Sumario: | The title structure, C(22)H(22)BrNOS(2), is a triclinic modification. Whereas the other reported modification crystallizes with just one molecule in the asymmetric unit, the present modification has Z′ = 2. The six-membered cyclohexene ring adopts an envelope conformation, with the C atom bearing the two methyl groups representing the flap. This atom deviates by 0.674 (4) Å from the plane passing through the other five atoms of the ring (r.m.s. deviation = 0.027 Å). For the second independent molecule, the deviation is 0.669 (3) Å and the r.m.s. deviation is 0.010 Å. The molecular conformation of both molecules is stabilized by intramolecular N—H⋯S hydrogen bonds. |
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