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

ABSTRACT: 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.

SUBMITTER: Ouzidan Y

PROVIDER: S-EPMC3051530 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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

Ouzidan Younes Y Kandri Rodi Youssef Y Fronczek Frank R FR Venkatraman Ramaiyer R El Ammari Lahcen L Essassi El Mokhtar el M

Acta crystallographica. Section E, Structure reports online 20110112 Pt 2

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. ...[more]

PMID: 21523041

Similar Datasets

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

3-[2-(1H-Benzimidazol-2-ylsulfan-yl)eth-yl]-1,3-oxazolidin-2-one.

Project description:In the title compound, C(12)H(13)N(3)O(2)S, the oxazolidin ring displays an envelope conformation. The dihedral angle between the benzimidazole ring and the 1,3-oxazolidin-2-one mean plane is 69.85?(13)°. In the crystal, mol-ecules are linked by inter-molecular N-H?N hydrogen bonds, forming a chain parallel to the b axis.

| S-EPMC3011576 | biostudies-literature

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

Project description: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.

| S-EPMC2979787 | biostudies-literature

5-Nitro-1,3-bis-(prop-2-yn-yl)-1H-1,3-benzimidazol-2(3H)-one.

Project description:The title compound, C13H9N3O3, crystallizes with two identical but differently oriented mol-ecules in the asymmetric unit, the dihedral angle between the fused-ring systems of the two molecules being 64.39 (7)°. The two prop-2-ynyl chains are located on opposite sides of the mol-ecule and are nearly perpendicular to the fused ring plane, as indicated by the C-N-C-C torsion angles in the range 106.0 (3)-113.4 (3)°. In the crystal, the two mol-ecules are linked through C-H⋯O hydrogen bonds into dimers, which are subsequently linked by further C-H⋯O inter-actions, building a three-dimensional network.

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3-[2-(1H-1,3-Benzodiazol-2-yl)eth-yl]-1,3-oxazolidin-2-one.

Project description:In the title compound, C(12)H(13)N(3)O(2), the dihedral angle between the oxazolone ring and the benzimidazole unit is 45.0?(5)°, exhibiting a staggered conformation at the C?-C? bond. In the crystal, a strong N-H?N hydrogen bond links the mol-ecules into a C(4) chain along the c axis while a C-H?O hydrogen-bonding inter-action generates a C(5) chain along the a axis, i.e. perpendicular to the other chain.

| S-EPMC3089160 | biostudies-literature

1-[2-(2-Oxo-1,3-oxazolidin-3-yl)eth-yl]-4-phenyl-1H-1,5-benzodiazepin-2(3H)-one.

Project description:The seven-membered ring in the title compound, C(20)H(19)N(3)O(3), adopts a boat conformation with the two phenyl-ene C atoms representing the stern and the methyl-ene C atom the prow. The dihedral angle between the best plane through the seven-membered ring (r.m.s deviation = 0.358?Å) and the phenyl substituent is 55.8?(1)°. The two rings at either ends of the ethyl chain are staggered [N-CH(2)-CH(2)-N torsion angle = 57.5?(4)°].

| S-EPMC3007442 | biostudies-other

1,3-Dibenzyl-1H-benzimidazol-2(3H)-one.

Project description:In the mol-ecular structure of the title compound, C(21)H(18)N(2)O, the fused-ring system is essentially planar, the largest deviation from the mean plane being 0.0121 (9) Å. The O atom and adjacent C atom are located in Wyckoff position 4e on a twofold axis (0, y, 1/4). The two benzyl groups are almost perpendicular to the benzimidazole plane, but point in opposite directions. The dihedral angle between the benzimidazole mean plane and the phenyl ring is 81.95 (5)°, whereas that between the two benzyl groups is 60.96 (7)°.

| S-EPMC3238894 | biostudies-literature

1-Allyl-1H-1,3-benzimidazol-2(3H)-one.

Project description:The fused five- and six-membered rings in the title compound, C(10)H(10)N(2)O, are approximately coplanar, with an r.m.s. deviation of 0.008?Å. The mean plane of the allyl group is roughly perpendicular to the mean plane of the 1,3-benzimidazol-2(3H)-one system, making a dihedral angle of 86.1?(2)°. In the crystal, each mol-ecule is linked to its symmetry equivalent partner by a pair of N-H?O and C-H?O hydrogen bonds.

| S-EPMC3515299 | biostudies-literature

1-Isopropenyl-1H-1,3-benzimidazol-2(3H)-one.

Project description:In the title N-substituted benzimidazol-2-one, C(10)H(10)N(2)O, the fused ring system is almost planar (r.m.s. deviation = 0.01?Å) and aligned at 57.9?(1)° with respect to the propenyl fragment. In the crystal, adjacent mol-ecules are linked by pairs of N-H?O hydrogen bonds into inversion dimers.

| S-EPMC2979410 | biostudies-literature

1,3-Dibenzyl-5-chloro-1H-benzimidazol-2(3H)-one.

Project description:In both independent mol-ecules of the title compound, C(21)H(17)ClN(2)O, the aromatic rings of the benzyl substituents are located on opposite sides of the benzimidazole ring systems. In one mol-ecule, the rings are aligned at 77.0?(1) and 78.1?(1)° with respect to the fused-ring system, whereas in the other mol-ecule the rings are aligned at 76.0?(1) and 76.9?(1)°. There is an inter-molecular Cl?O contact of 3.086?(1)?Å.

| S-EPMC3213576 | biostudies-literature

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