Benzyl 2-(4-bromoanilino)-4,4-dimethyl-6-oxocyclohex-1-enecarbodithioate: second triclinic polymorph
نویسندگان
چکیده
The title structure, C(22)H(22)BrNOS(2), is a triclinic modification. Whereas the other reported modification crystallizes with just one mol-ecule in the asymmetric unit, the present modification has Z' = 2. The six-membered cyclo-hexene 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 mol-ecule, the deviation is 0.669 (3) Å and the r.m.s. deviation is 0.010 Å. The mol-ecular conformation of both mol-ecules is stabilized by intra-molecular N-H⋯S hydrogen bonds.
منابع مشابه
Benzyl 2-(4-bromoanilino)-4,4-dimethyl-6-oxocyclohex-1-enecarbodithioate: first triclinic polymorph
The six-membered cyclo-hexene ring in the title compound, C(22)H(22)BrNOS(2), adopts an envelope conformation, with the C atom bearing the two methyl groups representing the flap. This atom deviates by 0.686 (4) Å from the plane passing through the other five atoms of the ring (r.m.s. deviation = 0.025 Å). The mol-ecular conformation is stabilized by an intra-molecular N-H⋯S hydrogen bond.
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عنوان ژورنال:
دوره 65 شماره
صفحات -
تاریخ انتشار 2009