60 research outputs found

    2-Fluoro­anilinium N-(2-fluoro­phenyl)oxamate

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    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

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    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

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    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

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    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

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    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

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    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

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    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

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    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

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    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

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    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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