organic compounds
Open access
The asymmetric unit of the title compound, C27H16F2N2O4, consists of two crystallographically independent molecules (A and B). In molecule B, the isoindoline-1,3-dione ring system is disordered over two set of sites with a site-occupancy ratio of 0.658 (12):0.342 (12). In molecule A, the fluoro-substituted benzene rings make dihedral angles of 18.36 (8) and 46.37 (8)° with the central benzene ring, whereas the corresponding angles are 40.90 (8) and 52.89 (9)° in molecule B. The isoindoline ring system in molecule A and the major and minor components of the disordered isoindoline ring system in molecule B make dihedral angles of 58.50 (4), 54.13 (16) and 70.01 (28) °, respectively, with their attached benzene rings, linked through the amide group. An intramolecular O—HO hydrogen bond generates an S(6) ring in each molecule. In the crystal, molecules are linked by N—HO, C—HF and C—HO hydrogen bonds into sheets lying parallel to the bc plane. The crystal studied was a non-merohedral twin with a refined twin component ratio of 0.9316 (8):0.0684 (8).
organic compounds
Open access
In the title compound, C17H15FN2O, the pyrazoline ring adopts a flattened envelope conformation. The dihedral angle between the fluoro-substituted benzene ring and the phenyl ring is 69.20 (5)°. In the crystal, a pair of C—HO hydrogen bonds link neighbouring molecules, forming an inversion dimer. The crystal structure is further consolidated by C—Hπ interactions and by a π–π interaction with a centroid–centroid distance of 3.7379 (6) Å.
organic compounds
Open access
In the title compound, C19H18BrFN2O, the benzene rings form dihedral angles of 5.38 (7) and 85.48 (7)° with the mean plane of the 4,5-dihydro-1H-pyrazole ring (r.m.s. deviation = 0.0849 Å), which approximates to an envelope conformation with the –CH2– group as the flap. The dihedral angle between the benzene rings is 82.86 (7)°. In the crystal, C—HF and C—HO hydrogen bonds link the molecules to form inversion dimers and together these generate chains along [011]. The crystal packing also features C—Hπ interactions.
organic compounds
Open access
In the title compound, C18H14BrNO, the naphthalene ring system [maximum deviation = 0.015 (3) Å] forms a dihedral angle of 67.70 (10)° with the benzene ring. In the crystal, molecules are linked by N—HO hydrogen bonds into C(4) chains propagating in [100]. A C—HO interaction reinforces the chain connectivity, generating an R21(6) loop.
organic compounds
Open access
In the title compouund, C15H10F2O, the molecule exists in an E conformation with respect to the C=C bond [1.3382 (16) Å]. The dihedral angle between the fluoro-substituted benzene rings is 6.80 (6)° and the whole molecule is roughly planar (r.m.s. deviation for the non-H atoms = 0.069 Å). In the crystal, molecules are linked by C—HF and C—HO interactions into sheets lying parallel to the bc plane.
organic compounds
Open access
The asymmetric unit of the title compound, C20H14Cl3NO, consists of two independent molecules. In one molecule, the chlorinated benzene ring forms dihedral angles of 12.00 (9) and 77.04 (9)° with the phenyl rings. The dihedral angle between the phenyl rings is 80.37 (10)°. The corresponding dihedral angles for the other molecule are 26.34 (10), 62.98 (10) and 88.47 (11)°, respectively. One of the molecules features an intramolecular C—HO hydrogen bond, which forms an S(6) ring motif. In the crystal, molecules are linked by N—HO hydrogen bonds into [100] chains. The chains are further linked by C—HO and C—HCl hydrogen bonds into a three-dimensional network.
organic compounds
Open access
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[4-(methylsulfanyl)phenyl]acetamide
In the title compound, C20H21N3O2S, the 2,3-dihydro-1H-pyrazole ring is nearly planar (r.m.s. deviation = 0.023 Å) and forms dihedral angles of 16.96 (6) and 38.93 (6)° with the benzene and phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings is 55.54 (6)°. The molecular conformation is consolidated by an intramolecular C—HO hydrogen bond, which forms an S(6) ring. In the crystal, inversion dimers linked by pairs of N—HOp (p = pyrazole) hydrogen bonds generate R22(10) loops. The dimers are linked by C—HO hydrogen bonds into sheets lying parallel to (100).
organic compounds
Open access
In the title compound, C16H16BrNO, the dihedral angle between the benzene rings is 69.8 (2)°. In the crystal, N—HO hydrogen bonds link the molecules into C(4) chains propagating in [100]. Adjacent molecules in the chains are also linked by C—HO interactions which, along with the N—HO hydrogen bonds, generate R21(6) loops.
organic compounds
Open access
In the title compound, C11H9ClN2OS, the thiazole ring is nearly planar (r.m.s. deviation = 0.003 Å) and forms a dihedral angle of 64.18 (7)° with the bezene ring. In the crystal, inversion dimers linked by pairs of N—HNt (t = thiazole) hydrogen bonds generate R22(8) loops.
organic compounds
Open access
In the title compound, C21H16BrFN2, the fluoro-substituted benzene ring is disordered over two orientations about the C—F bond and the C—C bond between the benzene and pyrazole groups with a site-occupancy ratio of 0.516 (8):0.484 (8). The central pyrazole ring [maximum deviation = 0.035 (3) Å] makes dihedral angles of 22.4 (2), 11.0 (2), 77.19 (16) and 7.44 (17)° with the two disorder components of the benzene ring, the bromo-substituted benzene ring and the phenyl ring, respectively. In the crystal, molecules are linked into a layer parallel to the bc plane through C—Hπ interactions.
organic compounds
Open access
The asymmetric unit of the title compound, C16H14ClN3OS, contains two independent molecules (A and B) linked into dimers via N—HN hydrogen bonds. The 1,3-benzothiazol-2-yl ring system and the benzene ring form dihedral angles of 17.08 (8) and 8.63 (7)° in molecules A and B, respectively.
organic compounds
Open access
The title compound, C21H17NO2, exists in an E conformation with respect to the C=C bond. The pyridine ring forms dihedral angles of 5.57 (7) and 82.30 (9)°, respectively, with the central benzene ring and the terminal phenyl ring. The dihedral angle between the benzene and phenyl rings is 87.69 (8)°. No significant intermolecular interactions are observed.
organic compounds
Open access
The asymmetric unit of the title compound, C22H22O4, consists of two independent molecules (A and B). The cyclohexene rings adopt slightly distorted sofa conformations in both molecules. The dihedral angles between the benzene rings are 74.16 (13) and 71.85 (13)° in molecules A and B, respectively. In the crystal, weak C—HO hydrogen bonds link the molecules into a ribbon-like structure along the b axis. Weak C—Hπ interactions are also observed.