41 research outputs found

    Methyl 3-(4-methoxy­benzo­yl)propionate

    Get PDF
    The asymmetric unit of the title compound, C12H14O3, contains two independent mol­ecules, in which the benzene rings are oriented at a dihedral angle of 72.08 (3)°. In the crystal structure, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into centrosymmetric dimers. There are also C—H⋯π contacts between aromatic CH groups and the benzene rings

    3-(3-Bromo­benz­yl)-1H-isochromen-1-one

    Get PDF
    In the title compound, C16H11BrO2, the isocoumarin ring system is planar (r.m.s. deviation = 0.015 Å) and subtends a dihedral angle of 88.90 (2)° with the bromo­benzene ring. In the crystal, mol­ecules are linked, forming a three-dimensional packing pattern involving C—H⋯O inter­actions, Br⋯O contacts [3.4734 (10) Å] and π–π stacking inter­actions with centroid–centroid distances ranging from 3.667 (2) to 3.765 (2) Å

    2-(2-Fluoro­biphenyl-4-yl)-N′-(propan-2-yl­idene)propanohydrazide

    Get PDF
    In the title compound, C18H19FN2O, the hydrazide side chain is approximately perpendicular to the central ring [dihedral angle = 76.80 (5)°]. The F atom is disordered over two positions with occupancies of 0.818 (2) and 0.182 (2). The packing consists of chains of mol­ecules parallel to the a axis, connected by a bifurcated N—H⋯(O,N) hydrogen bond and a weak Cphen­yl—H⋯O hydrogen bond. The packing is extended to a layer structure parallel to the ab plane by a weak Cphen­yl—H⋯F hydrogen bond

    2-(2-Fluoro­benzoyl­meth­yl)benzoic acid

    Get PDF
    In the title compound, C15H11FO3, the aromatic rings are oriented at a dihedral angle of 69.26 (3)°. In the crystal structure, inversion dimers arise from pairs of inter­molecular O—H⋯O hydrogen bonds, and C—H⋯O hydrogen bonds further consolidate the packing. There are also C—H⋯π contacts between the benzoic acid and 2-fluoro­benzene rings

    3-(4-Ethoxy­benzo­yl)propionic acid

    Get PDF
    The title compound, C12H14O4, is an important inter­mediate in the synthesis of biologically active heterocyclic compounds. In the crystal structure, inter­molecular O—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules. There are also C—H⋯π contacts between the benzene ring and the methyl­ene groups

    3-Benzyl­isochroman-1-one

    Get PDF
    In the mol­ecule of the title compound, C16H14O2, the aromatic rings are oriented at a dihedral angle of 78.49 (3)°. The heterocyclic ring adopts a twist conformation. In the crystal structure, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into chains along the c axis

    3-(3-Fluoro­benz­yl)isochroman-1-one

    Get PDF
    In the mol­ecule of the title compound, C16H13FO2, the aromatic rings are oriented at a dihedral angle of 74.46 (4)°. The heterocyclic ring adopts a twisted conformation. In the crystal structure, there is a weak C—H⋯π inter­action

    2-[(4-Chloro­benz­yl)carbonyl­meth­yl]benzoic acid

    Get PDF
    The title compound, C16H13ClO3, is an important inter­mediate in the conversion of isocoumarin to 3,4-dihydro­isocoumarin. The two aromatic rings are oriented at a dihedral angle of 67.18 (3)°. In the crystal structure, inter­molecular O—H⋯O hydrogen bonds link the mol­ecules into centrosymmetric dimers. There is also a C—H⋯π contact between the benzoic acid and 4-chloro­benzyl rings

    5-(2-Methoxy­benz­yl)-4-(2-methoxy­phen­yl)-4H-1,2,4-triazol-3-ol

    Get PDF
    In the mol­ecule of the title compound, C17H17N3O3, the triazole ring is oriented at dihedral angles of 88.09 (3) and 83.72 (3)° with respect to the 2-methoxy­benzyl and 2-methoxy­phenyl rings, respectively. The dihedral angle between the 2-methoxy­benzyl and 2-methoxy­phenyl rings is 52.95 (3)°. In the crystal structure, inter­molecular N—H⋯O hydrogen bonds link the mol­ecules into centrosymmetric dimers. There is a π–π contact between the 2-methoxy­phenyl rings [centroid–centroid distance = 3.811 (3) Å]

    4-(4-Methoxy­phen­yl)-3-[2-(2-methoxy­phen­yl)eth­yl]-1H-1,2,4-triazol-5(4H)-one

    Get PDF
    The title compound, C18H19N3O3, is a biologically active triazole derivative. The five-membered ring is oriented with respect to the six-membered rings at dihedral angles of 51.59 (4) and 61.37 (4)°. The crystal structure is stabilized by inter­molecular N—H⋯O hydrogen-bond inter­actions between centrosymmetrically related mol­ecules [the dihedral angle between the benzene rings is 47.44 (5)°]
    corecore