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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, C(15)H(10)Br(2)F(2)O, the dihedral angle between the two 3-fluoro-substituted benzene rings is 5.7?(5)°. The two bromine substituents on the chalcone moiety are close to anti as the Br-C-C-Br torsion angle is 176.9?(7)°. Weak C-Br?? inter-actions may contribute to the crystal stability.

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Project description: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.

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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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Project description:In the title compound {systematic name: 4-[2,3-dibromo-3-(4-bromo-phen-yl)propano-yl]-3-(4-meth-oxy-phen-yl)-1,2,3-oxa-dia-zol-3-ylium-5-olate}, C(18)H(13)Br(3)N(2)O(4), the central oxadiazole ring, which is essentially planar with a maximum deviation of 0.016 (3) Å, makes dihedral angles of 29.98 (16) and 52.04 (16)°, respectively, with the terminal bromo-substituted and meth-oxy-substituted benzene rings. An intra-molecular C-H⋯O hydrogen bond generates an S(6) ring motif.

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