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

ABSTRACT: 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.

SUBMITTER: Caleb AA

PROVIDER: S-EPMC2977093 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description: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.

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Project description:In the title compound, C(11)H(15)N(3)O(3)S, the dihedral angle between the five- and six-membered rings is 1.13?(18)°. The ethyl-methane-sulfonamide group is in a (+)synclinal conformation. In the crystal, inter-molecular N-H?O and C-H?O hydrogen-bond inter-actions link mol-ecules into zigzag ribbons parallel to the b axis. The ribbons are further connected by C-H?? inter-actions.

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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.

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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.

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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.

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Project description:The di-hydro-quinoxaline ring system of the title mol-ecule, C19H17N3O3, is approximately planar [maximum deviation = 0.050?(2)?Å], the dihedral angle between the planes through the two fused rings being 4.75?(8)°. The mean plane through the fused-ring system forms a dihedral angle of 30.72?(5)° with the attached phenyl ring. The mol-ecular conformation is enforced by C-H?O hydrogen bonds. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, forming a three-dimensional network.

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(Phen-yl)(3-phenyl-sulfonyl-1,2-dihydro-pyrrolo-[1,2-a]quinoxalin-1-yl)methanone.

Project description:In the title mol-ecule, C(24)H(18)N(2)O(3)S, the 13-atom ring system comprising the quinoxaline and fused five-membered ring exhibits an r.m.s. deviation from coplanarity of 0.039 Å, with a maximum deviation of 0.0710 (10) Å for the PhCO-bearing C atom of the five-membered ring. The 10-membered C(8)N(2) quinoxaline ring system has an r.m.s. deviation from coplanarity of 0.022 Å, with a maximum deviation of 0.0403 (9) Å for the C atom involved in the C=C bond in the five-membered ring. The three atoms of the five-membered ring fused to the quinoxaline ring system show deviations of up to 0.118 (2) Å for the PhCO-bearing C atom. C-N bond distances in the quinoxaline ring system of the title mol-ecule deviate from those in unsubstituted quinoxaline. In particular, the two C-N distances to the N atom involved in the five-membered ring are essentially equal, with values of 1.3786 (17) and 1.3773 (16) Å, unlike the difference of nearly 0.06 Å in quinoxaline.

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Project description:The title compound, C(28)H(20)N(2)O(2)·2H(2)O, comprises a Schiff base mol-ecule with an imposed inversion centre in the middle of p-phenyl-enediamine unit and water mol-ecules of crystallization. In the structure, the Schiff base mol-ecule is present as the keto-amino tautomer with a strong intra-molecular N-H?O hydrogen bond. The Schiff base mol-ecules and water mol-ecules of crystallization create infinite [010] columns through O-H?O hydrogen bonds. Inter-molecular attractions within columns are through additional ?-? inter-actions [centroid-centroid distance = 3.352?(1)?Å] between parallel Schiff base mol-ecules. The columns are joined into infinite (011) layers through weak C-H?O hydrogen bonds. The layers pack in an assembly by van der Waals attractions, only being effective between bordering non-polar naphthalene ring systems.

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Project description:In the title compound, C(13)H(13)NO(4), the bicyclic quinolone fragment and the ester group are approximately orthogonal, making a dihedral angle of 83.3?(2)° and an intramolecular C-H?O interaction occurs. In the crystal, inter-molecular O-H?O hydrogen bonding generates a zigzag chain along the c axis.

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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.

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