154 research outputs found
4-[2-(4-Chlorophenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
In the title molecule, C11H10ClN5OS, an intramolecular N—H⋯O hydrogen forms an S(6) ring motif. The dihedral angle between the pyrazole ring and the benzene ring is 3.77 (8)°. In the crystal, molecules are linked by N—H⋯S and N—H⋯O hydrogen bonds into layers parallel to the bc plane
(3E,5E)-3,5-Bis(naphthalen-1-ylmethylidene)piperidin-4-one
In the title compound, C27H21NO, the piperidine ring adopts a chair conformation. The mean plane through the piperidine ring makes dihedral angles of 49.27 (5) and 63.07 (5)° with the naphthalene ring systems. In the crystal, molecules are linked into dimers via pairs of intermolecular C—H⋯O interactions, generating ten-membered R
2
2(10) ring motifs. C—H⋯π interactions further stabilize the crystal structure
9-Aminoacridin-10-ium 4-aminobenzoate dihydrate
The asymmetric unit of the title hydrated salt, C13H11N2
+.-C7H6NO2-.2H2O, consists of two independent 9-aminoacridinium cations, two 4-aminobenzoate anions and four water molecules. Both 9-aminoacridinium cations are essentially planar, with maximum deviations of 0.034 (1) and 0.025 (2) A ° , and are protonated at the pyridine N atoms. The 4-aminobenzoate anions are approximately planar, with dihedral angles of 9.16 (19) and 5.4 (2)° between the benzene ring and the carboxylate group. In the crystal, the two independent anions are connected by N—H...O hydrogen
bonds, forming a layer parallel to (100). The layers are
connected through the cations by N—H...N and N—H...O
hydrogen bonds. The water molecules, which form O—H...O
hydrogen-bonded chains along the b-axis direction, connect
the anions and the cations by O—H...O, N—H...O and C—
H...O hydrogen bonds. The crystal structure also features n–n interactions [centroid–centroid distances = 3.6343 (9)–
3.8366 (10) A °] and a C—H...n interaction
Ethyl ({5-[5′-(2-ethoxy-2-oxoethoxy)-4,4′′-difluoro-1,1′:3′,1′′-terphenyl-4′-yl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
In the title compound, C28H24F2N2O6S, the whole molecule is disordered over two sites with refined occupancies of 0.778 (3) and 0.222 (3). The central benzene ring makes dihedral angles of 56.0 (4), 34.5 (4) and 70.9 (4)°, respectively, with the two terminal benzene rings and the 1,3,4-oxadiazole ring in the major component of the disordered molecule. The corresponding angles in the minor component are 59.7 (16), 25.6 (13) and 75.5 (14)°. In the crystal, molecules are linked via C—H⋯F, C—H⋯N, C—H⋯O and C—H⋯S hydrogen bonds into a three-dimensional network. In addition, C—H⋯π interactions are observed
N′-(3,4-Dichlorobenzylidene)-5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
In the title compound, C17H12Cl2N6O3, the 1H-1,2,3-triazole ring [maximum deviation = 0.003 (1) Å] forms dihedral angles of 34.08 (6) and 28.38 (6)°, respectively, with the nitro- and dichloro-substituted benzene rings. The dihedral angle between the benzene rings is 6.68 (5)°. In the crystal, C—H⋯O hydrogen bonds link the molecules into chains running parallel to the a axis
1-[2-(4-Chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethanone
In the title compound, C16H14ClN3O2, the 2,3-dihydro-1,3,4-oxadiazole ring [maximum deviation = 0.030 (1) Å] and the pyridine ring [maximum deviation = 0.012 (1) Å] are inclined slightly to one another, making a dihedral angle of 11.91 (5)°. The chloro-substituted phenyl ring is almost perpendicular to the 2,3-dihydro-1,3,4-oxadiazole and pyridine rings at dihedral angles of 86.86 (5) and 75.26 (5)°, respectively. In the crystal, π–π [centroid–centroid distance = 3.7311 (6) Å] and C—H⋯π interactions are observed
3,5-Bis(4-fluorophenyl)isoxazole
In the crystal structure of the title compound, C15H9F2NO, the complete molecule is generated by a crystallographic twofold rotation axis and the O and N atoms of the central isoxazole ring are statistically disordered with equal site occupancies. The terminal benzene rings form a dihedral angle of 24.23 (3)° with the isoxazole ring. The dihedral angle between the benzene rings is 47.39 (2)°. No significant intermolecular interactions are observed
Ethyl 4-anilino-3-nitrobenzoate
In the title compound, C15H14N2O4, the dihedral angle between the benzene and phenyl rings is 73.20 (6)°. An intramolecular N—H⋯O hydrogen bond forms an S(6) ring motif. In the crystal, molecules are linked by N—H⋯O and C—H⋯O hydrogen bonds into a layer parallel to the bc plane
3-Benzyl-7-(2,4-dichlorophenyl)-4H-1,3,4-thiadiazolo[2,3-c][1,2,4]triazin-4-one
In the title compound, C17H10Cl2N4OS, the phenyl ring and the H atoms attached to the adjacent C atom are disordered over two positions, with refined site occupancies of 0.509 (8) and 0.491 (8). The planar 4H-1,3,4-thiadiazolo[2,3-c][1,2,4]triazine ring system [maximum deviation = 0.048 (3) Å] forms dihedral angles of 76.9 (5), 74.9 (5) and 9.88 (12)°, respectively, with the major and minor parts of the disordered phenyl ring and with the dichloro-substituted benzene ring. In the crystal, pairs of C—H⋯O hydrogen bonds link the molecules, forming inversion dimers with an R
2
2(18) graph-set motif. A short S⋯N contact of 2.801 (3) Å is observed between the dimers
Ethyl 2-(4-chlorophenyl)-1-phenyl-1H-benzimidazole-5-carboxylate
In the title compound, C22H17ClN2O2, the essentially planar benzimidazole ring system [maximum deviation = 0.012 (2) Å] forms dihedral angles of 28.69 (6) and 63.65 (7)°, respectively, with the phenyl and chloro-substituted benzene rings. The dihedral angle between the phenyl and benzene rings is 64.23 (8)°. In the crystal, molecules are linked into a zigzag chain along the a axis by intermolecular C—H⋯O hydrogen bonds. C—H⋯π interactions are also present
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