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4-Nitro-6-[(8-quinolyl-amino)-methyl-idene]cyclo-hexa-2,4-dien-1-one.

ABSTRACT: The mol-ecule of the title compound, C(16)H(11)N(3)O(3), exists in the keto form and the C=O and N-H bonds are mutually cis in the crystal structure. There are two crystallographically independent mol-ecules per asymmetric unit with broadly similar structural data. The only noticeable difference between the two is the dihedral angles between the benzene and the quinoline rings: 1.04?(4) and 3.07?(4)°. In the structure, intra-molecular N-H?O(carbon-yl) and N-H?N(pyridine) hydrogen bonds exist but there is no evidence of formal inter-molecular hydrogen-bonding associations.

SUBMITTER: Shibahara T

PROVIDER: S-EPMC3007437 | BioStudies | 2010-01-01

REPOSITORIES: biostudies

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2,4-Dichloro-6-(8-quinolylamino-methyl-ene)cyclo-hexa-2,4-dien-1-one methanol solvate.

Project description:The main mol-ecule of the title methanol solvate, C(16)H(10)Cl(2)N(2)O·CH(3)OH, exists in the keto form and the C=O and N-H bonds are mutually cis in the crystal structure. The dihedral angle between the quinoline and benzene rings is 11.17?(3)°. A bifurcated intra-molecular N-H?(O,N) hydrogen bond is present as well as an O-H?O hydrogen bond. In the crystal, C-H?O inter-actions link the 3,5-dichloro-salicyl-idene-8-amino-quinoline and methanol mol-ecules.

1000-01-01 | S-EPMC2979828 | BioStudies

2,4-Dibromo-6-[(quinolin-8-yl-amino)-methyl-idene]cyclo-hexa-2,4-dien-1-one monohydrate.

Project description:In the title compound, C(16)H(10)Br(2)N(2)O·H(2)O, bifurcated intra-molecular N-H?(N,O) hydrogen bonding defines the essential planarity of the main mol-ecule: the dihedral angle between the quinoline and benzene rings is 7.53?(8)°. Inter-molecular O-H?O and weak C-H?O hydrogen bonds consolidate the crystal packing, which exhibits ?-? inter-actions with a distance of 3.588?(1)?Å between the centroids of the aromatic rings and short Br?Br contacts of 3.5757?(6)?Å.

1000-01-01 | S-EPMC3239023 | BioStudies

2-Nitro-N-(8-quinolyl)benzamide.

Project description:In the title compound, C(16)H(11)N(3)O(3), the amide group is twisted away from the quinoline ring system and nitro-benzene ring by 8.02?(1)° and 54.92?(1)°, respectively. The crystal packing is stabilized by inter-molecular C-H?O hydrogen bonds, and ?-? inter-actions between the quinoline ring systems of inversion-related mol-ecules, with a centroid-centroid distance of 3.4802?(13)?Å.

1000-01-01 | S-EPMC2959943 | BioStudies

N,N'-Di-8-quinolyl-2,2'-(o-phenyl-ene-di-oxy)diacetamide.

Project description:In the title compound, C(28)H(22)N(4)O(4), the mol-ecule lies on a crystallographic twofold axis. The quinoline ring is essentially planar (give max or rms deviation 0.0186?Å), and the dihedral angle between the quinoline ring and the central benzene ring is 19.1?(4)°. Intra-molecular N-H?(N,O) and C-H?O hydrogen bonds contribute to the formation of the roughly planar configuration. The crystal packing is stabilized by inter-molecular C-H?O hydrogen bonds, and weak ?-? inter-actions between the pyridine rings and central benzene rings of the neighboring mol-ecules [centroid-centroid separation = 3.9009?(6)?Å].

2009-01-01 | S-EPMC2971241 | BioStudies

6-(2-Hydroxy-anilinomethyl-ene)-4-nitro-cyclo-hexa-2,4-dien-1-one.

Project description:The molecule of the title compound, C(13)H(10)N(2)O(4), is nearly planar with a dihedral angle between the two aromatic rings of 2.24?(9)°. The NH group forms an intramolecular hydrogen bond with the carbonyl O atom. The mol-ecules form dimers about inversion centers in the crystal structure via inter-molecular O-H?O hydrogen bonds.

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8-Quinolyl 5-(dimethyl-amino)-naphthalene-1-sulfonate.

Project description:In the title compound, C(21)H(18)N(2)O(3)S, the dihedral angle between the naphthalene and quinoline ring systems is 55.53?(2)°, and the torsion angle involving the connecting C-S-O-C atoms is 87.60?(3)°. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds connect mol-ecules into chains along [100] and there are ?-? stacking inter-actions between pairs of chains with a centroid-centroid distance of 3.5485?(15)?Å.

1000-01-01 | S-EPMC3007537 | BioStudies

(6Z)-4-Bromo-6-{[(2-hy-droxy-eth-yl)amino]-methyl-idene}cyclo-hexa-2,4-dien-1-one.

Project description:The title mol-ecule, C(9)H(10)BrNO(2), excluding methyl-ene H atoms and the C-OH group, is essentially planar, with a maximum deviation of 0.037?(2)?Å for the N atom. The N-C-C-O torsion angle is -63.1?(3)°. The mol-ecular structure is stabilized by a weak intra-molecular N-H?O(carbonyl) hydrogen bond, forming an S(6) motif. In the crystal, mol-ecules are linked by O-H?O and C-H?O hydrogen bonds, forming a three-dimensional network.

1000-01-01 | S-EPMC3343984 | BioStudies

(2E,4E)-1-(6-Chloro-2-methyl-4-phenyl-3-quinol-yl)-5-phenyl-penta-2,4-dien-1-one.

Project description:In the title compound, C(27)H(20)ClNO, the quinoline ring forms a dihedral angle of 62.53?(5)° with the substituent benzene ring. In the crystal, inter-molecular C-H?Cl inter-actions link the mol-ecules into chains along the b axis. Inter-molecular C-H?N and C-H?O hydrogen bonds further consolidate the structure into a three-dimensional network. The unit cell contains four solvent-accessible voids, each with a volume of 35?Å(3), but no significant electron density was found in them.

1000-01-01 | S-EPMC2979425 | BioStudies

N,N,2,4,6-Penta-methyl-anilinium hexa-fluoro-phosphate-1,4,7,10,13,16-hexa-oxa-cyclo-octa-decane (2/1).

Project description:In the title compound, 2C11H18N(+)·2PF6 (-)·C12H24O6, the 18-crown-6 mol-ecule has crystallographically imposed inversion symmetry. In the crystal, it inter-acts with the cation through weak C-H?O hydrogen bonds. The cations and anions are further linked via N-H?F and C-H?F hydrogen bonds, leading to a sandwich structure .

1000-01-01 | S-EPMC3914100 | BioStudies

3-Hy-droxy-1-methyl-2-[4-(piperidin-1-yl)phen-yl]quinolin-4(1H)-one.

Project description:There are two structurally similar but crystallographically independent mol-ecules (A and B) in the asymmetric unit of the title compound, C(21)H(22)N(2)O(2), which are linked via two O-H?O hydrogen bonds. An intramolecular O-H?O hydrogen bond also occurs in each molecule. In the crystal, the A and B mol-ecules are further linked through C-H?O inter-actions. The benzene ring is twisted at an angle of 69.9?(1) and 83.4?(1)° relative to the 1,4-dihydro-quinoline skeleton in mol-ecules A and B, respectively. Adjacent 1,4-dihydro-quinoline units of mol-ecules A are parallel, while mol-ecules A and B are oriented at an angle of 32.8?(1)°.

1000-01-01 | S-EPMC3051995 | BioStudies

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