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(E)-2-[2-(2-Nitro-phen-yl)ethen-yl]-8-quinolyl acetate.

ABSTRACT: The title compound, C(19)H(14)N(2)O(4), crystallizes with two molecules with very similar conformations in the asymmetric unit; the angles between the two ring systems are 8.7 (1) and 4.2 (1)°. In the crystal, inter-molecular π-π inter-actions [centroid-centroid distance 3.973 (1) Å] lead to a three-dimensional network.

SUBMITTER: Zhang LY

PROVIDER: S-EPMC2970963 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(E)-2-[2-(Penta-fluoro-phen-yl)ethen-yl]-8-quinolyl acetate.

Project description:The title compound, C(19)H(10)F(5)NO(2), was synthesized by the 1:1 condensation of 2-methyl-8-hydroxy-quinaldine with penta-fluoro-benzaldehyde. It crystallizes with two almost identical mol-ecules in the asymmetric unit. The penta-fluoro-benzene ring is essentially coplanar with the quinoline ring, forming dihedral angles of 2.49?(17) and 8.72?(16)° in the two mol-ecules.

| S-EPMC2971354 | biostudies-literature

(E)-2-[2-(3-Fluoro-phen-yl)ethen-yl]quinolin-8-yl acetate.

Project description:In the crystal of the title compound, C(19)H(14)FNO(2), the mol-ecules are linked by C-H?O hydrogen bonds in translational chains along the b axis. The dihedral angles formed by the quinoline system with the fluoro-benzene ring and the acet-oxy group are 8.15?(3) and 77.42?(4)°, respectively.

| S-EPMC3414338 | biostudies-literature

(E)-2-[2-(3-Nitro-phen-yl)ethen-yl]quinolin-8-ol.

Project description:In the title compound, C17H12N2O3, the mean planes of the benzene ring and the quinoline moiety are inclined to one another by 11.0?(1)°. The nitro substituent is twisted at an angle of 7.9?(2)° with respect to the attached benzene ring. Intra-molecular O-H?N and C-H?N hydrogen bonds occur. The crystal is constructed of mol-ecular stacks without involvement of ?-stacking inter-actions, but showing inter-stack association via O-H?O and C-H?O hydrogen bonding. Thus, the supramolecular architecture of the crystal results from stacked molecules stabilized by hydrogen bonding between the stacks.

| S-EPMC3884316 | biostudies-literature

(E)-N,N-Diethyl-2,6-diisopropyl-4-[2-(4-nitro-phen-yl)ethen-yl]aniline.

Project description:The title compound, C24H32N2O2, was prepared by Horner olefination of 4-di-ethyl-amino-3,5-diiso-propyl-benzaldehyde and diethyl p-nitro-benzyl-phospho-nate. There are two independent mol-ecules (A and B) in the asymmetric unit. Their main axes, defined by the line connecting the N atoms of the nitro and amino groups, open an angle of 79.42?(3)°. Steric hindrance around the amino group is reflected in a long aryl C-N bond [1.434?(3)?Å for mol-ecule A and 1.440?(3)?Å for mol-ecule B], a pyramidal geometry [angle sum = 350.0?(2)° for mol-ecule A and 349.6?(2)° for mol-ecule B], and dihedral angles between the phenyl-ene group and the plane defined by the CH2-N-CH2 unit of 86.9?(3)° for mol-ecule A and 88.3?(3)° for mol-ecule B. This gives structural support for the electronic decoupling of the amino group from the nearly planar nitro-stilbene moiety (r.m.s. deviation for C, N and O atoms = 0.097 for mol-ecule A and 0.107?Å for mol-ecule B).

| S-EPMC3885052 | biostudies-literature

Ethyl 2-(2-hy-droxy-5-nitro-phen-yl)acetate.

Project description:In the crystal structure of the title compound, C(10)H(11)NO(5), inter-molecular O-H?O hydrogen bonds link the mol-ecules into chains along the b-axis direction. Weak C-H.·O hydrogen bonds also occur.

| S-EPMC3051587 | biostudies-literature

4-{2-[4-(Dimethyl-amino)-phen-yl]ethen-yl}-1-methyl-pyridinium 4-nitro-benzene-sulfonate.

Project description:The asymmetric unit of the title salt, C(16)H(19)N(2) (+). C(6)H(4)NO(5)S(-), consists of two cations and two anions. The crystal structure is stabilized by π-π inter-actions between the pyridyl and phenyl rings of the cations, with a centroid-centroid distance of 3.7323 (6) Å.

| S-EPMC3343963 | biostudies-literature

1-{2-[(E)-2-(2-Nitro-phen-yl)ethen-yl]-1-phenyl-sulfonyl-1H-indol-3-yl}ethanone.

Project description:In the title compound, C24H18N2O5S, the S atom has a distorted tetra-hedral configuration, with bond angles varying from 105.11?(7) to 119.98?(8)°. As a result of the electron-withdrawing character of the phenyl-sulfonyl group, the N-Csp (2) bond lengths [1.414?(2) and 1.413?(2)?Å] are slightly longer than the reported value of 1.355?(14)?Å for N atoms with a planar configuration. The indole moiety is essentially planar, with a maximum deviation of 0.0177?(14)?Å for the N atom. The phenyl ring of the sulfonyl substituent makes a dihedral angle of 85.70?(7)° with the mean plane of the indole moiety. The mol-ecular structure features intra-molecular C-H?O hydrogen bonds, which generate S(6) and S(12) ring motifs. In the crystal, adjacent mol-ecules are linked via C-H?O hydrogen bonds, forming infinite C(7) chains running along the a-axis direction. The crystal packing also features C-H?? inter-actions, which form a three-dimensional structure.

| S-EPMC3884461 | biostudies-literature

(E)-1-Nitro-4-(2-nitro-ethen-yl)benzene.

Project description:The asymmetric unit of the title compound, C(8)H(6)N(2)O(4), consists of two independent mol-ecules with similar geometries, each adopting a trans configuration about the olefinic double bond. The two mol-ecules are both almost planar (r.m.s. deviations = 0.034 and 0.035?Å) and form a dihedral angle of 83.62?(2)°. Short N?O contacts [2.834?(3)-2.861?(3)?Å] are observed between the nitro groups of neighbouring mol-ecules, with the O atom located directly atop the p orbital of the N atom. In the crystal, the mol-ecules are linked into a three-dimensional network by the N?O inter-actions and by C-H?O hydrogen bonds.

| S-EPMC2971267 | biostudies-literature

Crystal structures and Hirshfeld surface analyses of the two isotypic compounds (<i>E</i>)-1-(4-bromo-phen-yl)-2-[2,2-di-chloro-1-(4-nitro-phen-yl)ethen-yl]diazene and (<i>E</i>)-1-(4-chloro-phen-yl)-2-[2,2-di-chloro-1-(4-nitro-phen-yl)ethen-yl]diazene.

Project description:In the two isotypic title compounds, C14H8BrCl2N3O2, (I), and C14H8Cl3N3O2, (II), the substitution of one of the phenyl rings is different [Br for (I) and Cl for (II)]. Aromatic rings form dihedral angles of 60.9 (2) and 64.1 (2)°, respectively. Mol-ecules are linked through weak X⋯Cl contacts [X = Br for (I) and Cl for (II)], C-H⋯Cl and C-Cl⋯π inter-actions into sheets parallel to the ab plane. Additional van der Waals inter-actions consolidate the three-dimensional packing. Hirshfeld surface analysis of the crystal structures indicates that the most important contributions for the crystal packing for (I) are from C⋯H/H⋯C (16.1%), O⋯H/H⋯O (13.1%), Cl⋯H/H⋯Cl (12.7%), H⋯H (11.4%), Br⋯H/H⋯Br (8.9%), N⋯H/H⋯N (6.9%) and Cl⋯C/C⋯Cl (6.6%) inter-actions, and for (II), from Cl⋯H / H⋯Cl (21.9%), C⋯H/H⋯C (15.3%), O⋯H/H⋯O (13.4%), H⋯H (11.5%), Cl⋯C/C⋯Cl (8.3%), N⋯H/H⋯N (7.0%) and Cl⋯Cl (5.9%) inter-actions. The crystal of (I) studied was refined as an inversion twin, the ratio of components being 0.9917 (12):0.0083 (12).

| S-EPMC6690453 | biostudies-literature

(E)-2-(2-Nitro-ethen-yl)furan.

Project description:The title compound, C(6)H(5)NO(3), was synthesized via condensation of furfural with nitro-methane in the presence of isobutyl-amine. The compound crystallizes exclusively as the E isomer. The angle between the mean planes of the furan ring and the nitro-alkenyl group is 1.3?(2)°.

| S-EPMC2977326 | biostudies-literature

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