87 research outputs found

    5-Acetyl-4-(2-chloro­phen­yl)-6-methyl-3,4-dihydro­pyrimidine-2(1H)-thione

    Get PDF
    In the title mol­ecule, C13H13ClN2OS, the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 85.6 (1)° with the benzene ring, which adopts an axial orientation. The thionyl, acetyl and methyl groups all have equatorial orientations. Inter­molecular N—H⋯O, N—H⋯S and C—H⋯S hydrogen bonds are found in the crystal structure. A weak C—H⋯π inter­action involving the benzene ring also occurs

    1-Methyl-3,5-bis­[(E)-(3-methyl-2-thienyl)methyl­ene]piperidin-4-one monohydrate

    Get PDF
    In the title mol­ecule, C18H19NOS2·H2O, the piperidine ring adopts an envelope conformation with the methyl substituent in an equatorial position. Each of the olefinic double bonds has an E configuration. The dihedral angle between the two thio­phene rings is 6.04 (14)°. The water mol­ecule forms two donor inter­actions, one with the carbonyl O atom and the other to the hetero N atom. The centrosymmetric {C18H19NOS2·H2O}2 pairs thus formed are linked into a supra­molecular chain via C—H⋯Owater contacts

    Ethyl 6-r-(2-chlorophenyl)-2-oxo-4-phenyl­cyclohex-3-ene-1-t-carboxylate

    Get PDF
    In the title mol­ecule, C21H19ClO3, the cyclo­hexene ring adopts an envelope conformation, with all substituents equatorial. The plane through its five coplanar atoms makes dihedral angles of 12.75 (14) and 74.16 (8)° with the phenyl and benzene rings, respectively. The dihedral angle between the latter two rings is 81.73 (12)°. Inter­molecular C—H⋯O hydrogen bonds and intra­molecular C—H⋯Cl contacts are found in the crystal structure; a weak C—H⋯π inter­action is also present

    2,3,5-Triphenyl­pyrazine

    Get PDF
    In the title mol­ecule, C22H16N2, the pyrazine ring deviates very slightly from planarity [maximum deviation 0.044 (3) Å], tending towards a twist-boat conformation. The phenyl ring at position 3 makes dihedral angles of 64.0 (2) and 45.8 (2)°, respectively, with the phenyl rings at positions 2 and 5. The dihedral angle between the phenyl rings at positions 2 and 5 is 49.7 (2)°. A C—H⋯π inter­action is found in the crystal structure, but no classical hydrogen bonds form

    1-Benzyl-3,5-bis­[(E)-3-thienyl­methyl­idene]piperidin-4-one

    Get PDF
    In the title mol­ecule, C22H19NOS2, the piperidine ring adopts an envelope conformation with the benzyl substituent in an equatorial position. Each of the olefinic double bonds has an E configuration. The dihedral angle between the two thio­phene rings is 1.55 (18)°. The thio­phene rings form angles of 72.21 (14) and 73.43 (14)° with the phenyl ring. Both thio­phene rings are disordered over two orientations [occupancy ratios of 0.799 (1):0.201 (1)] at 180° from one another. In the crystal, weak inter­molecular C—H⋯O hydrogen bonds and C—H⋯π inter­actions help to stabilize the packing

    2-Methyl-3,5,6-triphenyl-2,3-dihydro­pyrazine

    Get PDF
    In the title mol­ecule, C23H20N2, the heterocyclic ring adopts a screw-boat conformation, with all substituents equatorial. The phenyl ring at position 3 makes dihedral angles of 78.12 (15) and 72.67 (15)°, respectively, with the phenyl rings at positions 5 and 6; the dihedral angle between the phenyl rings at positions 5 and 6 is 67.32 (14)°. A C—H⋯π inter­action is present in the crystal structure

    Ethyl 4-(4-bromo­phen­yl)-6-r-phenyl-2-oxocyclo­hex-3-ene-1-t-carboxyl­ate

    Get PDF
    In the title compound, C21H19BrO3, the cyclo­hexene ring adopts an envelope conformation, with all substituents equatorial. The plane through its five coplanar atoms makes dihedral angles of 28.88 (10) and 71.94 (10)° with the bromo­benzene and phenyl rings, respectively. The dihedral angle between the latter two rings is 51.49 (15)°. Inter­molecular C—H⋯O hydrogen bonds are found in the crystal structure; a C—H⋯π inter­action is also present

    5-Acetyl-4-(4-methoxy­phen­yl)-6-methyl-3,4-dihydro­pyrimidin-2(1H)-one

    Get PDF
    In the title mol­ecule, C14H16N2O3, the heterocyclic ring adopts a flattened boat conformation, and the plane through its four coplanar atoms makes a dihedral angle of 89.65 (7)° with the benzene ring. The non-H atoms of the carbonyl, acetyl and methyl groups are nearly coplanar with the attached heterocyclic ring. Inter­molecular N—H⋯O and C—H⋯O hydrogen bonds are present in the crystal structure

    2-(2-Chloro­phen­yl)-3-methyl-5,6-diphenyl-2,3-dihydro­pyrazine

    Get PDF
    In the title mol­ecule, C23H19ClN2, the heterocyclic ring adopts a screw-boat conformation, with all substituents equatorial. The benzene ring at position 2 makes dihedral angles of 77.88 (12) and 76.31 (12)° with the phenyl rings at positions 5 and 6, respectively. The dihedral angle between the phenyl rings at positions 5 and 6 is 70.05 (10)°. The Cl atom is disordered over two positions with occupancy factors of 0.946 (5) and 0.054 (5). In the crystal, C—H⋯π inter­actions are found

    5-Acetyl-4-(2-chloro­phen­yl)-6-methyl-3,4-dihydro­pyrimidin-2(1H)-one

    Get PDF
    In the title mol­ecule, C13H13ClN2O2, the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 89.16 (5)° with the benzene ring, which adopts an axial orientation. The carbonyl, acetyl and methyl groups each have an equatorial orientation. In the crystal structure, inter­molecular N—H⋯O hydrogen bonds lead to a tape motif. The H atoms of the methyl group at position 6 are disordered over two positions of opposite orientation
    corecore