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6-Bromo-1-[2-(2-oxo-1,3-oxazolidin-3-yl)eth-yl]-1H-imidazo[4,5-b]pyridin-2(3H)-one.

ABSTRACT: The title compound, C(11)H(11)BrN(4)O(3), features an ethane fragment substituted with an almost planar (r.m.s. deviation = 0.019?Å) imidazo[4,5-b]pyridone ring system and an envelope-shaped oxazolidine unit on separate C atoms. The N-CH(2)-CH(2)-N torsion angle is 52.5?(4)°. In the crystal, pairs of mol-ecules are linked by N-H?O hydrogen bonds into centrosymmetric dimers.

SUBMITTER: Bel-Ghacham H

PROVIDER: S-EPMC2979787 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-[2-(6-Bromo-2-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)eth-yl]-1,3-oxazolidin-2-one.

Project description:In the title mol-ecule, C(17)H(15)BrN(4)O(2), the fused-ring system is essentially planar, the largest deviation from the mean plane being 0.015?(2)?Å, and forms dihedral angles of 37.8?(2) and 35.5?(2)° with the phenyl and oxazolidine rings, respectively. The conformation adopted by the mol-ecule is stabilized by an intra-molecular ??? inter-action [centroid-centroid distance = 3.855(2)?Å] between oxazolidine and phenyl rings. The crystal packing features inter-molecular C-H?N and C-H?O inter-actions.

| S-EPMC3089183 | biostudies-other

6-Bromo-1,3-bis-[(1,3-dioxolan-2-yl)meth-yl]-1H-imidazo[4,5-b]pyridin-2(3H)-one.

Project description:In the title compound, C14H16BrN3O5, the N atoms adjacent to the carbonyl group in the five-membered ring are substituted by (1,3-dioxolan-2-yl)methyl groups. The fused ring system is essentially planar, with the largest deviation from the mean plane being 0.014 (2) Å for the C atom bearing the Br atom. The first oxolane ring, attached on the side of the N atom belonging to the pyridine ring, has an envelope conformation with one of the O atoms as the flap, whereas the second oxolane ring displays a twisted boat conformation. The two oxolane rings display envelope and twisted boat conformations. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, building chains parallel to the a-axis direction.

| S-EPMC3772466 | biostudies-literature

6-Bromo-1,3-dimethyl-1H-imidazo[4,5-b]pyridin-2(3H)-one.

Project description:The non-H atoms of the two independent mol-ecules in the asymmetric unit of the title compound, C(8)H(8)BrN(3)O, are planar (r.m.s. deviations = 0.015 and 0.019?Å). In the crystal, the mol-ecules are linked into a zigzag chain along the c axis by C-H?O hydrogen bonds.

| S-EPMC3007224 | biostudies-literature

1,3-Diallyl-6-bromo-1H-imidazo[4,5-b]pyridin-2(3H)-one.

Project description:In the mol-ecule of the title compound, C(12)H(12)BrN(3)O, the fused-ring system is essentially planar, the largest deviation from the mean plane being 0.0148?(3)?Å. The two allyl groups are nearly perpendicular to the imidazo[4,5-b]pyridine plane [C-C-N-C torsion angles of 81.6?(4) and -77.2?(4)°] and point in the same direction. The planes through the atoms forming each allyl group are nearly perpendicular to the imidazo[4,5-b]pyridin-2-one system, as indicated by the dihedral angles between them of 80.8?(5) and 73.6?(5)°.

| S-EPMC3213442 | biostudies-literature

1,3-Bis[2-(2-oxo-1,3-oxazolidin-3-yl)eth-yl]-1H-benzimidazol-2(3H)-one.

Project description:The mol-ecular structure of the title compound, C(17)H(20)N(4)O(5), contains a central fused-ring system, comprised of six- and five-membered rings. This unit is linked by C(2) chains to two 2-oxo-1,3-oxazolidine five-membered rings. The central fused-ring system is essentially planar, with a maximum deviation of 0.008 (1) Å from the mean plane. Both oxazolidine five-membered rings are also nearly planar, with maximum deviations of 0.090 (1) and 0.141 (1) Å.

| S-EPMC3051530 | biostudies-literature

6-Bromo-1,3-di-2-propynyl-1H-imidazo[4,5-b]pyridin-2(3H)-one.

Project description:The room-temperature reaction of propargyl bromide and 6-bromo-1,3-dihydro-imidazo[4,5-b]pyridin-2-one in dimethyl-formamide yields the title compound, C(12)H(8)BrN(3)O, which features nitro-gen-bound propynyl substituents. The imidazopyridine fused ring is almost planar (r.m.s. deviation = 0.011 Å); the propynyl chains point in opposite directions relative to the fused ring. One acetyl-enic H atom is hydrogen bonded to the carbonyl O atom of an inversion-related mol-ecule, forming a dimer; adjacent dimers are linked by a second acetyl-ene-pyridine C-H⋯N inter-action, forming a layer motif.

| S-EPMC2983980 | biostudies-literature

1,3-Dibenzyl-6-bromo-1H-imidazo[4,5-b]pyridin-2(3H)-one.

Project description:The imidazopyridine fused-ring in the title compound, C(20)H(16)BrN(3)O, is planar (r.m.s. deviation = 0.011?Å). The phenyl rings of the benzyl substitutents twist away from the central five-membered ring in opposite directions; the rings are aligned at 61.3?(1) and 71.2?(1)° with respect to this ring.

| S-EPMC2983860 | biostudies-other

6-Bromo-1-(1,2-propadien-yl)-3-(2-propyn-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one.

Project description:The reaction of propargyl bromide and 6-bromo-1,3-dihydro-imidazo[4,5-b]pyridin-2-one in refluxing dimethyl-formamide yields the title compound, C(12)H(8)BrN(3)O, which features nitro-gen-bound propadienyl and propynyl substituents. The imidazolopyridine fused ring is planar (r.m.s. deviation = 0.012?Å); the propadienyl chain is coplanar with the fused ring as it is conjugated with it, whereas the propynyl chain is not as the nitro-gen-bound C atom is a methyl-ene linkage. The acetyl-enic H atom is hydrogen bonded to the carbonyl O atom of an adjacent mol-ecule, forming a helical chain runnning along the b axis.

| S-EPMC2983773 | biostudies-literature

Crystal structure of 5-chloro-1,3-bis-[2-(2-oxo-1,3-oxazolidin-3-yl)eth-yl]-1H-benz-imidazol-2(3H)-one.

Project description:In the title compound, C17H19ClN4O5, the benzimidazole fused-ring system is essentially planar, the maximum deviation from the mean plane being 0.06 (1) Å. Both oxazolidine rings are nearly planar, the maximum deviations from the mean planes are 0.071 (13) and 0.070 (10) Å. The dihedral angle between the mean planes of the oxazolidine rings is 69.9 (7)°. The benzimidazole mean plane makes the dihedral angles of 43.9 (6) and 45.6 (6)° with the two oxazolidine rings. In the crystal, the mol-ecules are linked together by weak C-H⋯O hydrogen bonds building zigzag tapes running along the c axis. The Cl atom is split over two positions with an occupancy ratio of 0.567 (7):0.433 (7). This means that the reaction yields two isomers, A and B; the A component has the Cl-atom substituent in the 5-position of the benzimidazolone ring and the B component has the Cl atom in the 6-position. The two isomers form the disordered co-crystal, with a nearly half Cl atom in each of them, as indicated by the occupancy ratio. The crystal structure was refined as an inversion twin.

| S-EPMC4647354 | biostudies-literature

6-Bromo-3-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one.

Project description:The title compound, C(7)H(6)BrN(3)O, was obtained from the reaction of 6-bromo-1H-imidazo[4,5-b]pyridin-2(3H)-one with methyl iodide. All non-H atoms lie in a common plane [r.m.s deviation = 0.017?(1)?Å]. The amino group is a hydrogen-bond donor to the carbonyl group of an inversion-related mol-ecule, the pair of hydrogen bonds giving rise to a hydrogen-bonded dimer.

| S-EPMC2979211 | biostudies-literature

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