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3-[2-(3-Methyl-quinoxalin-2-yl-oxy)eth-yl]-1,3-oxazolidin-2-one.

ABSTRACT: Two isomers were isolated during the reaction between 3-methyl-quinoxalin-2-one and bis-(2-chloro-ethyl)amine hydro-chloride. The crystal structure of one isomer has already been reported [Caleb, Bouhfid, Essassi & El Ammari (2009). Acta Cryst. E65, o2024-o2025], while that of the second isomer is the subject of this work. The title compound, C(14)H(15)N(3)O(3), has a new structure containing oxazolidine and quinoxaline rings linked by an eth-oxy group. The main difference between the two isomers is the position of the oxazolidine group with respect to the quinoxaline system. The dihedral angle between the fused planar rings and the oxazolidin-2-one ring is 41.63 (8)° in the title mol-ecule.

SUBMITTER: Ahoya CA

PROVIDER: S-EPMC2979098 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-[2-(5H-Indolo[2,3-b]quinoxalin-5-yl)eth-yl]-1,3-oxazolidin-2-one.

Project description:The title compound, C(19)H(16)N(4)O(2), has an almost planar fused N-heterocyclic system (r.m.s. deviation = 0.031 Å) and an almost planar five-membered 1,3-oxazolidine ring (r.m.s. deviation = 0.015 Å) at the ends of an ethyl-ene chain [N-C-C-N torsion angle = -65.6 (2)°]. The ring systems are inclined at 38.1 (1)° to one another.

| S-EPMC3008062 | biostudies-literature

3-{2-[(3-{(E)-2-[4-(Dimethyl-amino)-phen-yl]ethen-yl}quinoxalin-2-yl)-oxy]eth-yl}-1,3-oxazolidin-2-one monohydrate.

Project description:In the title compound, C(23)H(24)N(4)O(3)·H(2)O, the 1,3-oxazoline ring is nearly planar [maximum deviation = 0.059?(2)?Å] and its mean plane is twisted by 30.12?(8)° with respect to the quinoxaline fused-ring system; the benzene ring is nearly coplanar with the quinoxaline fused-ring system [dihedral angle = 2.52?(2)°]. The water mol-ecule of crystallization is hydrogen-bond donor to an N atom of the quinoxaline ring system as well as an O atom of the oxazolinone unit, the two hydrogen bonds generating a chain running along the c axis.

| S-EPMC3254572 | biostudies-literature

3-[2-(3-Methyl-2-oxo-1,2-dihydro-quinoxalin-1-yl)eth-yl]oxazolidin-2-one.

Project description:The title heterocyclic compound, C(14)H(15)N(3)O(3), is a new synthetic mol-ecule containing oxazolidine and quinoxaline rings. It is built up from two fused six-membered rings linked to a five-membered oxazolidin-2-one ring by a C(2) chain. Both ring systems are essentially planar [maximum deviation = 0.894 (3) Å, r.m.s. deviation = 0.0043 Å]. The structure is held together by van der Waals forces [electrostatic interactions between dipoles, O⋯C = 3.002 (2) Å] between mol-ecules and by weak π-π stacking between symmetry-related mol-ecules, with an inter-planar distance of 3.579 Å and a centroid-centroid distance of 3.800 (1) Å. Inter-molecular C-H⋯O hydrogen bonds are also observed in the crystal structure.

| S-EPMC2977093 | biostudies-literature

3-{2-[(3-Phenyl-quinoxalin-2-yl)-oxy]ethyl}-1,3-oxazolidin-2-one.

Project description:The asymmetric unit of the title compound, C(19)H(17)N(3)O(3), consists of two independent mol-ecules that are disposed about a pseudo-centre of inversion. The plane of the phenyl substituent is twisted by 38.1?(1)° [43.6?(1)° in the second mol-ecule] out of the plane of the quinoxaline ring system. The five-membered ring of the substituent at the 2-position adopts an envelope conformation; the 5-CH(2) atom representing the flap lies out of the plane defined by the other four atoms [deviation 0.264?(7)?Å in the first mol-ecule and 0.291?(6)?Å in the second]. The dihedral angle between the five-membered ring and the 4-phenyl ring is 84.9?(1)° while that between the five-membered ring and the 5-phenyl ring is 65.6?(1)°.

| S-EPMC3089083 | biostudies-other

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

3-[2-(1,3-Benzothia-zol-2-ylsulfan-yl)eth-yl]-1,3-oxazolidin-2-one.

Project description:The title compound, C(12)H(12)N(2)S(2)O(2), consists of a benzothia-zole group and a oxazolidin-1-one linked via a flexible ethane-1,2-diyl spacer. The benzothiazole group and the oxazolidine ring are each almost planar [with maximum deviations of 0.007 (2) and 0.044 (3) Å, respectively] and make a dihedral angle of 9.35 (10)°. In the crystal structure, adjacent mol-ecules were connected through C-H⋯O and C-H⋯N hydrogen bonds, and further extended into a three-dimensional network structure through inter-molecular aromatic π-π stacking inter-actions in which the centroid-centroid distance is 3.590 (1) Å.

| S-EPMC2983132 | 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

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

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

Project description:In the title compound, C(13)H(12)N(2)O(4), the almost planar (r.m.s. deviation = 0.012?Å) dioxoindolinyl unit and the envelope-shaped oxazolidine ring (with the methyl-ene C atom bonded to the N atom as the flap) are linked by a -CH(2)-CH(2)- bridge, in which the N-C-C-N unit adopts a gauche conformation [torsion angle = 62.7?(2)°].

| S-EPMC2979849 | biostudies-other

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

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