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2,3-Dibromo-1-(4-methyl-phen-yl)-3-(5-nitro-furan-2-yl)propan-1-one.


ABSTRACT: In the title compound, C(14)H(11)Br(2)NO(4), the whole mol-ecule is disordered over two positions with a refined occupancy ratio of 0.539?(9):0.461?(9). The 2-nitro-furan and toluene groups are approximately planar, with maximum deviations of 0.176?(11) and 0.121?(14)?Å, respectively, in the major component and 0.208?(11) and 0.30?(17)?Å in the minor component. The dihedral angles between the 2-nitro-furan and toluene groups are 8.7?(5) and 8.0?(9)° for the major and minor components, respectively. In the crystal, weak inter-molecular C-H?O inter-actions connect mol-ecules into a three-dimensional network, generating R(2) (1)(6) ring motifs.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3050337 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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2,3-Dibromo-1-(4-methyl-phen-yl)-3-(5-nitro-furan-2-yl)propan-1-one.

Fun Hoong-Kun HK   Shahani Tara T   Nithinchandra   Kalluraya Balakrishna B  

Acta crystallographica. Section E, Structure reports online 20101211 Pt 1


In the title compound, C(14)H(11)Br(2)NO(4), the whole mol-ecule is disordered over two positions with a refined occupancy ratio of 0.539 (9):0.461 (9). The 2-nitro-furan and toluene groups are approximately planar, with maximum deviations of 0.176 (11) and 0.121 (14) Å, respectively, in the major component and 0.208 (11) and 0.30 (17) Å in the minor component. The dihedral angles between the 2-nitro-furan and toluene groups are 8.7 (5) and 8.0 (9)° for the major and minor components, respective  ...[more]

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