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2,3-Dibromo-3-(4-chloro-phen-yl)-1-(4-nitro-thio-phen-2-yl)propan-1-one.

ABSTRACT: The title compound, C(13)H(8)Br(2)ClNO(3)S, exhibits whole-mol-ecule disorder over two orientations in a 0.805?(6):0.195?(6) ratio. The dihedral angles between the thio-phene ring [maximum deviations = 0.017?(4) and 0.033?(9)?Å for the major and minor components, respectively] and the chloro-substituted phenyl ring are 32.1?(5) (major component) and 26.3?(18)° (minor component). In the crystal, C-H?Cl and C-H?O hydrogen bonds link the mol-ecules into sheets lying parallel to the bc plane. Aromatic ?-? stacking inter-actions [centroid-centroid distance = 3.550?(7)?Å] are also observed.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3435703 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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2,3-Dibromo-3-(4-chloro-phen-yl)-1-(4-nitro-thio-phen-2-yl)propan-1-one.

Fun Hoong-Kun HK   Arshad Suhana S   Shetty Shobhitha S   Kalluraya Balakrishna B   Babu M M  

Acta crystallographica. Section E, Structure reports online 20120811 Pt 9

The title compound, C(13)H(8)Br(2)ClNO(3)S, exhibits whole-mol-ecule disorder over two orientations in a 0.805 (6):0.195 (6) ratio. The dihedral angles between the thio-phene ring [maximum deviations = 0.017 (4) and 0.033 (9) Å for the major and minor components, respectively] and the chloro-substituted phenyl ring are 32.1 (5) (major component) and 26.3 (18)° (minor component). In the crystal, C-H⋯Cl and C-H⋯O hydrogen bonds link the mol-ecules into sheets lying parallel to the bc plane. Aromat  ...[more]

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