Benzyl 2-(4-bromoanilino)-4,4-dimethyl-6-oxocyclohex-1-enecarbodithioate: second triclinic polymorph

Benzyl 2-(4-bromoanilino)-4,4-dimethyl-6-oxocyclohex-1-enecarbodithioate: second triclinic polymorph

The title structure, C22H22BrNOS2, 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 be...

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Format: Article
Language:English
Published: International Union of Crystallography 2009-03-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536809006151
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spelling doaj-c8be33372fd248c8b4fcf5eba2fd804d2020-11-25T00:46:30ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-03-01653o598o59810.1107/S1600536809006151Benzyl 2-(4-bromoanilino)-4,4-dimethyl-6-oxocyclohex-1-enecarbodithioate: second triclinic polymorphThe title structure, C22H22BrNOS2, 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. http://scripts.iucr.org/cgi-bin/paper?S1600536809006151
collection DOAJ
language English
format Article
sources DOAJ
title Benzyl 2-(4-bromoanilino)-4,4-dimethyl-6-oxocyclohex-1-enecarbodithioate: second triclinic polymorph
spellingShingle Benzyl 2-(4-bromoanilino)-4,4-dimethyl-6-oxocyclohex-1-enecarbodithioate: second triclinic polymorph
Acta Crystallographica Section E
title_short Benzyl 2-(4-bromoanilino)-4,4-dimethyl-6-oxocyclohex-1-enecarbodithioate: second triclinic polymorph
title_full Benzyl 2-(4-bromoanilino)-4,4-dimethyl-6-oxocyclohex-1-enecarbodithioate: second triclinic polymorph
title_fullStr Benzyl 2-(4-bromoanilino)-4,4-dimethyl-6-oxocyclohex-1-enecarbodithioate: second triclinic polymorph
title_full_unstemmed Benzyl 2-(4-bromoanilino)-4,4-dimethyl-6-oxocyclohex-1-enecarbodithioate: second triclinic polymorph
title_sort benzyl 2-(4-bromoanilino)-4,4-dimethyl-6-oxocyclohex-1-enecarbodithioate: second triclinic polymorph
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2009-03-01
description The title structure, C22H22BrNOS2, 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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536809006151
_version_ 1725264914111528960

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