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

ABSTRACT: In the title compound, C(13)H(8)Br(2)ClNO(4), the linking -CHBr-CHBr- fragment is disordered over two orientations with refined site occupancies of 0.512?(11) and 0.488?(11). The dihedral angle between the furan ring and the phenyl ring is 21.86?(16)°. In the crystal, the mol-ecules are linked into [011] chains by inter-molecular C-H?O hydrogen bonds.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3011530 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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

Fun Hoong-Kun HK Yeap Chin Sing CS Shetty Shobhitha S Kalluraya Balakrishna B

Acta crystallographica. Section E, Structure reports online 20101120 Pt 12

In the title compound, C(13)H(8)Br(2)ClNO(4), the linking -CHBr-CHBr- fragment is disordered over two orientations with refined site occupancies of 0.512 (11) and 0.488 (11). The dihedral angle between the furan ring and the phenyl ring is 21.86 (16)°. In the crystal, the mol-ecules are linked into [011] chains by inter-molecular C-H⋯O hydrogen bonds. ...[more]

PMID: 21589511

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

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Project description:IN THE TITLE COMPOUND [SYSTEMATIC NAME: 2,3-dibromo-3-(2-bromo-phen-yl)-1-(5-oxido-3-phenyl-1,2,3-oxadiazol-3-ium-4-yl)propan-1-one], C(17)H(11)Br(3)N(2)O(3), the oxadiazole ring is essentially planar, with a maximum deviation of 0.003?(1)?Å. The -CHBr-CHBr- chain and bromo-phenyl ring are disordered over two sets of sites with a refined occupany ratio of 0.756?(5):0.244?(5). The central oxadiazole ring makes dihedral angles of 54.07?(11) and 13.76?(18)° with the attached phenyl and the major component of the bromo-substituted benzene rings, respectively. The dihedral angle between the major and minor components of the bromo-phenyl rings is 13.4?(5)°. In the crystal structure, mol-ecules are connected by C-H?O hydrogen bonds, forming [010] ribbons.

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