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2,3-Dimethyl-6-nitro-quinoxaline.

ABSTRACT: The asymmetric unit of the title quinoxaline compound, C(10)H(9)N(3)O(2), contains two crystallographically independent mol-ecules (A and B). The quinoxaline ring systems are essentially planar, with maximum deviations of 0.006 (1) and 0.017 (1) Å, respectively, for mol-ecules A and B. In mol-ecule A, the dihedral angle formed between the quinoxaline ring system and nitro group is 10.94 (3)° [6.31 (13)° for mol-ecule B]. In the crystal, mol-ecules are linked into chains propagating along [001]: one forms zigzag chains linked by C-H⋯O hydrogen bonds, whilst the other forms ladder-like chains by way of C-H⋯N and C-H⋯O hydrogen bonds. The packing is further consolidated by weak π-π inter-actions [range of centroid-centroid distances = 3.5895 (7)-3.6324 (7) Å].

SUBMITTER: Ghalib RM

PROVIDER: S-EPMC3006956 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2,2'-(Quinoxaline-2,3-di-yl)diphenol dimethyl-formamide solvate.

Project description:In the title compound, C(20)H(14)N(2)O(2)·C(3)H(7)NO, the quinoxaline ring forms dihedral angles of 64.9 (2) and 30.9 (2)° with the two substituted benzene rings, which are themselves inclined at 58.4 (2)°. An intra-molecular O-H⋯N hydrogen bond occurs. In the crystal, mol-ecules are linked through inter-molecular O-H⋯O hydrogen bonds.

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2,3-Dimethyl-6-nitro-2H-indazole.

Project description:In the mol-ecule of the title compound, C(9)H(9)N(3)O(2), the indazole ring system is almost planar [maximum deviation = 0.019?(3)?Å for the C atom bearing the nitro group]. In the crystal structure, inter-molecular C-H?O inter-actions link the mol-ecules into centrosymmetric dimers, forming R(2) (2)(18) ring motifs. Aromatic ?-? contacts between indazole rings [centroid-centroid distances = 3.632?(1) and 3.705?(1)?Å] may further stabilize the structure.

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1,4-Dihydro-quinoxaline-2,3-dione-5-nitro-isophthalic acid-water (1/1/1).

Project description:The asymmetric unit of the title compound, C(8)H(6)N(2)O(2)·C(8)H(5)NO(6)·H(2)O, contains mol-ecules of 1,4-dihydro-quinoxaline-2,3-dione, 5-nitro-isophthalic acid and a solvent water. In the crystal structure, mol-ecules are linked into a three-dimensional network by inter-molecular N-H?O and O-H?O hydrogen bonds.

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2,3-Dimethyl-N-[(E)-4-nitro-benzyl-idene]aniline.

Project description:In the title compound, C(15)H(14)N(2)O(2), the aromatic rings are oriented at a dihedral angle of 24.52?(5)°. The dihedral angle between the nitro group and its parent benzene ring is 9.22?(16)°. In the crystal, mol-ecules inter-act through aromatic ?-? stacking inter-actions [centroid-centroid separations = 3.8158?(14) and 3.9139?(14)?Å].

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2-Phenyl-thieno[2,3-b]quinoxaline.

Project description:The title compound, C(16)H(10)N(2)S, is almost planar (r.m.s. deviation for all non-H atoms = 0.080?Å). The dihedral angle between the three fused-ring system and the phenyl ring is 9.26?(3)°. The S atom and the opposite C atom of the thio-phene ring are mutually disordered with an occupancy ratio of 0.7706?(19):0.2294?(19).

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Project description:In the title compound, C(15)H(14)N(2)O(2), the 2,3-dimethyl-anilinic and benzaldehyde groups are planar, with r.m.s. deviations of 0.0101 and 0.0241?Å, respectively, and are oriented at a dihedral angle of 11.69?(3)°. The nitro group is inclined to the benzaldehyde group by 34.02?(9)°. The mol-ecule adopts an E configuration about the C=N bond. In the crystal, mol-ecules are linked via C-H?O inter-actions, giving rise to the formation of zigzag polymeric chains extending along [010]. They are also linked by C-H??, and ?-? inter-actions [centroid-centroid distance of 3.7185?(11)?Å] involving symmetry-related aniline and benzene rings. The H atoms of the ortho-methyl group are disordered over two sites with a refined occupancy ratio of 0.69?(2):0.31?(2).

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N-(2,3-Dimethyl-phen-yl)-2-nitro-benzene-sulfonamide.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(14)H(14)N(2)O(4)S. The N-H bonds are syn to the ortho-nitro groups in the sulfonyl benzene rings and anti to the methyl groups in the aniline benzene rings. The mol-ecules are twisted at the S-N bonds with torsion angles of -60.4?(3) and 58.8?(3)° in the two mol-ecules. The dihedral angles between the planes of the sulfonyl and the anilino benzene rings are 53.67?(8) and 56.99?(9)°. The amide H atoms of both mol-ecules are involved in an intra-molecular hydrogen bond, generating an S(7) motif. In the crystal, pairs of N-H?O(S) hydrogen bonds link like mol-ecules into inversion dimers.

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2,3-Bis(4-ethoxy-phen-yl)quinoxaline.

Project description:The title compound, C(24)H(22)N(2)O(2), was prepared by condensation of 1,2-bis-(4-ethoxy-phen-yl)ethane-1,2-dione and 1,2-diamino-benzene. The asymmetric unit contains one half-mol-ecule, close to a twofold axis. The plane of the quinoxaline ring is twisted with respect to the planes of the two ethoxy-phenyl ring systems, exhibiting dihedral angles of 39.95?(9)°. The crystal packing is dominated by weak C-H?? inter-actions. No classical hydrogen bonds or stacking inter-actions are observed.

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2,3-Bis(4-bromo-phen-yl)quinoxaline.

Project description:The title compound, C(20)H(12)Br(2)N(2), was prepared by the reaction of 1-(3-bromo-phen-yl)-2-(4-bromo-phen-yl)ethane-1,2-dione with o-phenyl-enediamine in refluxing ethanol. In the mol-ecule, all bond lengths and angles are within normal ranges. The dihedral angle between the two benzene rings is 34.89?(1)°. The dihedral angles between the benzene rings and the quinoxaline system are 57.23?(1) and 36.75?(1)°. The crystal packing is stabilized by van der Waals forces.

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1,4-Dihydro-benzo[g]quinoxaline-2,3-dione.

Project description:The title compound, C12H8N2O2, was prepared by the reaction of the diethyl ester of naphthalene-bis-(oxamate) with tert-BuNH2. The mol-ecule is nearly planar, with an r.m.s. deviation of 0.017?Å from the plane through all 16 non-H atoms. In the crystal, a three-dimensional network is formed, composed of layers of mol-ecules along the b- and c-axis directions, due to the formation of inter-molecular N-H?O hydrogen bonds, as well as of chains along the a-axis direction due to parallel displaced sandwich-type ?-? inter-actions with average distances between the inter-acting mol-ecules in the range 3.35-3.40?Å.

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