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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.

ABSTRACT: 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.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3099938 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

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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.

Fun Hoong-Kun HK Hemamalini Madhukar M Nithinchandra Kalluraya Balakrishna B

Acta crystallographica. Section E, Structure reports online 20110323 Pt 4

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. ...[more]

PMID: 21754217

Similar Datasets

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.

| S-EPMC3011624 | biostudies-literature

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

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⋯π inter-actions. Short Cl⋯Cl [3.1140 (17) Å] and Br⋯Cl [3.4565 (13) Å] contacts are observed.

| S-EPMC3011542 | biostudies-literature

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⋯π inter-actions may contribute to the crystal stability.

| S-EPMC3007578 | biostudies-literature

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.

| S-EPMC3201456 | biostudies-literature

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

Project description: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 π-π stacking inter-actions [centroid-centroid distance = 3.550 (7) Å] are also observed.

| S-EPMC3435703 | biostudies-literature

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⋯π inter-actions, and Br⋯Cl [3.505 (2) and 3.576 (6) Å] and Cl⋯F [3.176 (2) Å] short contacts.

| S-EPMC2961431 | biostudies-literature

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.

| S-EPMC3011530 | biostudies-literature

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

Project description: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.

| S-EPMC3011702 | biostudies-literature

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.

| S-EPMC3050337 | biostudies-literature

2,3-Dibromo-1-[4-(2,3-dibromo-4,5-di-meth-oxy-benz-yl)-2,5-dimeth-oxy-benz-yl]-4,5-dimeth-oxy-benzene.

Project description:The mol-ecule of the title compound, C(26)H(26)Br(4)O(6), is located around a crystallographic inversion center. The dihedral angle between the central benzene ring and the outer benzene ring is 89.26 (1)°.

| S-EPMC3009213 | biostudies-literature

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