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2-Isopropyl-2-(6-meth-oxy-1,3-benzo-thia-zol-2-yl)-5,5-dimethyl-1,3-thia-zolidin-4-one.

ABSTRACT: The title compound, C16H20N2O2S2, crystallizes with two enanti-omers (A and B) in the asymmetric unit. The most noticeable difference between these two mol-ecules is the relative orientation of the benzo-thia-zole rings, with S-C-C-S torsion angles of -19.4?(2) (mol-ecule A) and 100.6?(1)° (mol-ecule B). The amide structure of the thia-zolidinone rings leads to inter-molecular hydrogen-bonded dimers of the R and S enanti-omers.

SUBMITTER: Wurfel H

PROVIDER: S-EPMC3884408 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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2-Isopropyl-2-(6-meth-oxy-1,3-benzo-thia-zol-2-yl)-5,5-dimethyl-1,3-thia-zolidin-4-one.

Würfel Hendryk H Görls Helmar H Weiss Dieter D Beckert Rainer R

Acta crystallographica. Section E, Structure reports online 20130807 Pt 9

The title compound, C16H20N2O2S2, crystallizes with two enanti-omers (A and B) in the asymmetric unit. The most noticeable difference between these two mol-ecules is the relative orientation of the benzo-thia-zole rings, with S-C-C-S torsion angles of -19.4 (2) (mol-ecule A) and 100.6 (1)° (mol-ecule B). The amide structure of the thia-zolidinone rings leads to inter-molecular hydrogen-bonded dimers of the R and S enanti-omers. ...[more]

PMID: 24427032

Similar Datasets

3-(4-Meth-oxy-phen-yl)-1,3-selenazolo[2,3-b][1,3]benzo-thia-zol-4-ium hydrogen sulfate.

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Project description:The title compound, C15H12N2O2S, is a P21/c polymorph of a previously reported P21/n polymorph [Büyükgüngör et al. (2004 ?). Acta Cryst. E60, o1414-o1416]. The dihedral angle between the benzo-thia-zole (r.m.s. deviation = 0.010?Å) and the benzene ring of 7.86?(6)° compares with 10.76?(10)° in the literature structure. The meth-oxy substituent is almost coplanar with the benzene ring to which it is attached [C-O-C-C torsion angle = 178.31?(14)°] and the conformation about the imine bond [1.287?(2)?Å] is E. There is an intra-molecular O-H?N hydrogen bond and the hy-droxy O and thio-ether S atoms are syn. In the crystal, columns are formed along the b axis as centrosymmetric dimeric aggregates, mediated by C-H?O inter-actions and linked by ?-? inter-actions between the thia-zole and benzene rings [centroid-to-centroid distance = 3.8256?(10)?Å].

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Crystal structure of (±)-3-[(benzo[d][1,3]dioxol-5-yl)meth-yl]-2-(3,4,5-tri-meth-oxy-phen-yl)-1,3-thia-zolidin-4-one.

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{2-[(1,3-Benzo-thia-zol-2-yl)meth-oxy]-5-fluoro-phen-yl}(4-chloro-phen-yl)methanone.

Project description:The asymmetric unit of the title compound, C21H13ClFNO2S, contains two independent mol-ecules with similar conformations. In the mol-ecules, the thia-zole ring is essentially planar [maximum atomic deviations = 0.014?(4) and 0.023?(5)?Å] and is oriented with respect to the fluoro-phenyl ring and chloro-phenyl rings at 9.96?(18) and 70.39?(18)° in one mol-ecule and at 7.50?(18) and 68.43?(18)° in the other; the dihedral angles between the fluoro-phenyl and chloro-phenyl rings are 64.9?(2) and 64.6?(2)°, respectively. Inter-molecular C-H?O and C-H?F hydrogen bonds stabilize the three-dimensional supra-molecular architecture. Weak C-H?? and ?-? inter-actions [centroid-centroid distance = 3.877?(3)?Å] lead to a criss-cross mol-ecular packing along the c axis.

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3-{2-[(1,3-Benzothia-zol-2-yl)sulfanyl-meth-yl]phen-yl}-4-meth-oxy-5,5-dimethyl-furan-2(5H)-one.

Project description:In the title compound, C(21)H(19)NO(3)S(2), the dihedral angles formed between the thia-zole ring and the adjacent benzene ring and the other benzene ring are 1.58?(3) and 76.48?(6)°, respectively. The crystal structure features a weak C-H?O inter-action.

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{2-[(1,3-Benzo-thia-zol-2-yl)meth-oxy]-5-chloro-phen-yl}(4-chloro-phen-yl)methan-one.

Project description:In the title compound, C21H13Cl2NO2S, the benzo-thia-zole ring makes dihedral angles of 0.94?(1) and 70.65?(5)° with the 4-chloro-phenyl-methanone unit and the 5-chloro-phenyl ring, respectively. The dihedral angle between the 4-chloro-phenyl-methanone unit and the 5-chloro-phenyl ring is 66.20?(5)°. The crystal structure consists of dimeric units generated by C-H?N hydrogen bonds, further linked by C-H?O and C-H?? inter-actions, leading to a three-dimensional network.

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