91 research outputs found
5-Acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidine-2(1H)-thione
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
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
1-Acetyl-2-r,6-c-bis(4-chlorophenyl)-3-methyl-1,2,5,6-tetrahydropyridin-4-yl acetate
In the title compound, C22H21Cl2NO3, the pyridine ring adopts a half-chair conformation and the 4-chlorophenyl groups occupy axial positions. The 4-chlorophenyl groups are almost perpendicular to the plane of the tetrahydropyridine ring forming dihedral angles 84.62 (6) and 85.55 (5)°; the dihedral angle between the two 4-chlorophenyl rings is 12.16 (4)°. The crystal structure is stabilized by intermolecular C—H⋯O interactions
1-Benzyl-3,5-bis[(E)-3-thienylmethylidene]piperidin-4-one
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
Ethyl 6-r-(2-chlorophenyl)-2-oxo-4-phenylcyclohex-3-ene-1-t-carboxylate
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
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
Ethyl 4-(4-bromophenyl)-6-r-phenyl-2-oxocyclohex-3-ene-1-t-carboxylate
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
2-Methyl-3,5,6-triphenyl-2,3-dihydropyrazine
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
5-Acetyl-4-(4-methoxyphenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one
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
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