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

ABSTRACT: In the title compound, C(13)H(8)Br(2)N(2)O(6), the 2-furyl ring is essentially planar, with a maximum deviation of 0.002?(2)?Å. It is inclined at an angle of 33.94?(9)° to the benzene ring. Both nitro groups are slightly twisted away from their attached rings; the dihedral angles are 4.6?(2)° between the nitro group and the 2-furyl ring, and 13.72?(19)° between the nitro group and the benzene ring. In the crystal, mol-ecules are linked into chains along [110] and [10] via two pairs of inter-molecular C-H?O hydrogen bonds, displaying R(2) (2)(10) ring motifs.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3011702 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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

Fun Hoong-Kun HK Quah Ching Kheng CK Shetty Shobhitha S Kalluraya Balakrishna B

Acta crystallographica. Section E, Structure reports online 20101113 Pt 12

In the title compound, C(13)H(8)Br(2)N(2)O(6), the 2-furyl ring is essentially planar, with a maximum deviation of 0.002 (2) Å. It is inclined at an angle of 33.94 (9)° to the benzene ring. Both nitro groups are slightly twisted away from their attached rings; the dihedral angles are 4.6 (2)° between the nitro group and the 2-furyl ring, and 13.72 (19)° between the nitro group and the benzene ring. In the crystal, mol-ecules are linked into chains along [110] and [10] via two pairs of inter-mole ...[more]

PMID: 21589431

Similar Datasets

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

Project description:In the title compound, C(13)H(9)Br(2)NO(4), the phenyl and 2-nitro-furan rings are linked by a 2,3-dibromo-propanal group, six atoms of which, including a furyl C atom, are disordered over two positions with a site-occupancy ratio of 0.733?(11):0.267?(11). The dihedral angle between the furan [maximum deviation = 0.028?(4)?Å] and phenyl rings in the major component is 16.9?(3)°. In the minor component, the corresponding values are 0.87?(4)?Å and 23.3?(5)°. In the crystal, inter-molecular C-H?O hydrogen bonds link the mol-ecules into two-dimensional arrays parallel to the ab plane.

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

Project description: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.

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

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Project description:In the title compound, C(15)H(10)Br(2)Cl(2)O, the terminal benzene rings make a dihedral angle of 31.1?(2)° with each other. In the crystal, mol-ecules are stacked along the a axis and consolidated by C-H?? inter-actions. Short Cl?Cl [3.1140?(17)?Å] and Br?Cl [3.4565?(13)?Å] contacts are observed.

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2,3-Dibromo-1,3-bis-(4-fluoro-phen-yl)propan-1-one.

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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2,3-Dibromo-3-(4-chloro-phen-yl)-1-(2-hy-droxy-phen-yl)propan-1-one.

Project description:In the title mol-ecule, C(15)H(11)Br(2)ClO(2), an S(6) ring motif is formed via an intra-molecular O-H?O hydrogen bond. The dihedral angle formed between the chloro- and hy-droxy-substituted benzene rings is 34.10?(15)°. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into chains along the c axis.

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

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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2,3-Dibromo-3-(2-bromo-phen-yl)-1-(3-phenyl-sydnon-4-yl)propan-1-one.

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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2,3-Dibromo-3-(4-bromo-phen-yl)-1-[3-(4-meth-oxy-phen-yl)sydnon-4-yl]propan-1-one.

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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2,3-Dibromo-1-(2,4-dichloro-5-fluoro-phen-yl)-3-phenyl-propan-1-one.

Project description:In the title compound, C(15)H(9)Br(2)Cl(2)FO, the dihedral angle between the two aromatic rings is 6.0?(1)°. The dibromo-ethane fragment of the propan-1-one unit is disordered over two positions, with occupancies of ca 0.83 and 0.17. The crystal structure is stabilized by inter-molecular C-H?O hydrogen bonds, C-H?? inter-actions, and Br?Cl [3.505?(2) and 3.576?(6)?Å] and Cl?F [3.176?(2)?Å] short contacts.

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