60 research outputs found
2-Fluoroanilinium N-(2-fluorophenyl)oxamate
The crystal structure of the title salt, C6H7FN+·C8H5FNO3
−, exhibits intramolecular N—H⋯O and C—H⋯O and intermolecular N—H⋯O and N—H⋯F hydrogen-bond interactions, the intramolecular hydrogen-bond interactions generating S(6) and S(5) ring motifs. The dihedral angles between the aromatic ring and the intramolecular hydrogen-bonded rings in the anion are 2.97 (7) and 6.70 (5)°. The two aromatic rings of the title compound are oriented with a dihedral angle of 77.25 (9)°
(E)-2-{[(2-(Trifluoromethyl)phenyl]iminomethyl}phenol
In the crystal of the title compound, C14H10F3NO, intramolecular O—H⋯N and O—H⋯F hydrogen bonds generate S(6) and S(10) intramolecular hydrogen-bonded rings. The dihedral angle between the planes of the aromatic rings is 13.00 (14)°
3-(4-Methylpiperazin-1-yl)isobenzofuran-1(3H)-one1
In the molecule of the title compound, C13H16N2O2, the phthalide ring system is virtually planar, with a dihedral angle between the fused five- and six-membered rings of 1.17 (4)°. The methylpiperazine ring adopts a chair conformation. In the crystal structure, intermolecular C—H⋯O and C—H⋯N hydrogen bonds link the molecules, generating edge-fused R
3
3(17) ring motifs, to form a three-dimensional network
(E)-4-Methoxy-2-(o-tolyliminomethyl)phenol
In the molecule of the title compound, C15H15NO2, the aromatic rings are oriented at a dihedral angle of 15.46 (6)°. An intramolecular O—H⋯N hydrogen bond results in the formation of a nearly planar six-membered ring [maximum deviation of 0.035 (5) Å for the N atom] which is almost coplanar with the adjacent ring, making a dihedral angle of 0.8 (3)°. The title organic molecule is a phenol–imine tautomer, as evidenced by the C—O, C—N and C—C bond lengths. Molecules are linked by intermolecular C—H⋯O hydrogen bonds that generate a C(5) chain. C—H⋯π and π–π interactions exist in the structure. The π–π interaction occurs between the phenol ring and its symmetry equivalent at (1 − x, 1 − y, −z), with a centroid–centroid distance of 3.727 (7) Å and a plane-to-plane separation of 3.383 (5) Å, resulting in an offset angle of 24.82 (1)°
X-ray crystal and computational structural study of (E)-2-[(2-chlorophenyl)iminomethyl]-4-methoxyphenol
In the molecule of the title compound, C14H12ClNO, the two aromatic rings are oriented at a dihedral angle of 12.28 (7)°. An intramolecular O—H⋯N hydrogen bond results in the formation of a nearly planar six-membered ring, which is oriented with respect to the aromatic rings at dihedral angles of 0.18 (5) and 12.10 (6)°. In the crystal structure, weak intermolecular C—H⋯O hydrogen bonds link the molecules into chains along the c axis. There is a C—H⋯π contact between the methyl group and the chlorophenyl ring and a π–π contact between the two benzene rings [centroid–centroid distance = 3.866 (1) Å]
X-ray and computational structural study of (E)-2-(4-chlorophenyliminomethyl)-4-methoxyphenol
In the molecule of the title compound, C14H12ClNO2, the two aromatic rings are oriented at a dihedral angle of 5.92 (7)°. An intramolecular O—H⋯N hydrogen bond results in the formation of a nearly planar six-membered ring, which is oriented at dihedral angles of 1.55 (4) and 5.95 (4)° with respect to the phenol and chlorophenyl rings, respectively. In the crystal structure, weak intermolecular C—H⋯O hydrogen bonds link the molecules into a three-dimensional network
2-(3-Oxo-1,3-dihydroisobenzofuran-1-ylamino)benzoic acid1
In the molecule of the title compound, C15H11NO4, the essentially planar phthalide group is oriented at a dihedral angle of 56.78 (5)° with respect to the substituted aromatic ring. An intramolecular N—H⋯O hydrogen bond results in the formation of a non-planar six-membered ring, which adopts a nearly flattened-boat conformation. In the crystal structure, intermolecular C—H⋯O, O—H⋯O and N—H⋯O hydrogen bonds link the molecules, generating centrosymmetric R
2
2(8) and R
2
2(11) ring motifs and forming a three-dimensional network
(E)-4-Methoxy-2-[3-(trifluoromethyl)phenyliminomethyl]phenol
The title compound, C15H12F3NO2, adopts the phenol–imine tautomeric form, with the H atom attached to oxygen rather than to nitrogen. There are two independent molecules aligned nearly parallel in the asymmetric unit with their trifloramethyl groups pointing in opposite directions. The dihedral angles between the aromatic rings are 40.43 (1)° in the first molecule and 36.12 (1)° in the second. Strong intramolecular O—H⋯N hydrogen bonding generates S(6) ring motifs. Weak intermolecular C—H⋯O hydrogen bonds link the independent molecules separately into sheets normal to [010]. In addition, C—H⋯π interactions are also observed. The F atoms of the trifluoromethyl groups are disordered over two sets of sites with refined site occupancies of 0.59 (2)/0.41 (2) and 0.62 (3)/0.38 (3), respectively
3-[(E)-(4-Ethylphenyl)iminomethyl]benzene-1,2-diol
The title compound, C15H15NO2, adopts the enol–imine tautomeric form. The dihedral angle between the two benzene rings is 48.1 (1)°. Intramolecular O—H⋯N and O—H⋯O hydrogen bonds generate S(6) and S(5) ring motifs, respectively. In the crystal, molecules are linked into centrosymmetric R
2
2(10) dimers via pairs of O—H⋯O hydrogen bonds and the dimers may interact through very weak by π–π interactions [centroid–centroid distance = 4.150 (1) Å]. The ethyl group is disordered over two orientations, with occupancies of 0.587 (11) and 0.413 (11)
(Z)-Ethyl 4-chloro-2-[(4-chlorophenyl)hydrazono]-3-oxobutanoate
The title compound, C12H12Cl2N2O3, crystallizes as a non-merohedral twin with a twinning ratio of 0.51:0.49. The molecule adopts a keto–hydrazo tautomeric form stabilized by an intramolecular N—H⋯O hydrogen bond. The configuration around the N—N bond is trans
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