In the title compound, C(21)H(16)BrFN(2), 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 co...

The title monohydrate, C9H10N2O3·H2O, contains an aziridine ring including two contiguous stereocenters, both of which exhibit an R configuration. The methyl-hydroxy and nitro-phenyl groups are cis-disposed about the aziridine ring. The mean plane of the benzene ring is tilted to the aziridine ring by 66.65 (8)°. The nitro group is nearly coplanar with the benzene ring [dihedral angle = 2.5 (2)...

In the title compound, C24H20N2, one of the ring C atoms and one of the ring N atoms are disordered over two sets of sites in a 0.615 (3):0.385 (3) ratio. The two parts of the disordered imidazole ring adopt an envelope conformation, with the undisordered ring N atom as the flap, displaced by -0.118 (6) and 0.226 (7) Å, respectively, in the two disorder components from the plane through the oth...

In the title compound, C(16)H(22)N(2)OS(2), the S atom of the thia-diazole ring and the attached methyl groups are disordered over two orientations with a refined site-occupancy ratio of 0.641 (11):0.359 (11). The thia-diazole ring is in a twist conformation in both disorder components. The mean plane through the thia-diazole ring makes dihedral angles of 77.39 (8) (major component) and 67.45 (...

In the title compound, C16H18N2O2S, the morpholine ring adopts a chair conformation. The thio-phene ring makes a dihedral angle of 63.54 (14)° with the mean plane of the four C atoms [maximum deviation = 0.010 (3) Å] of the morpholine ring. The benzamide ring is disordered, with four C atoms occupying two sets of sites, with a refined occupancy ratio of 0.502 (4):0.498 (4). These two rings are ...

In the cation of the title mol-ecular salt, C13H20NO(+)·C7H5ClNO2 (-), the five-membered ring adopts a twisted conformation about one of the C-N bonds. The exocyclic N-C bond has an equatorial orientation. The dihedral angle between the five-membered ring (all atoms) and the benzene ring is 76.56 (19)°. In the anion, the dihedral angle between the carboxyl-ate group and the benzene ring is 18.5...

In the title compound, C(23)H(15)Cl(2)NS, the quinoline system is almost planar [r.m.s. deviation = 0.013 (2) Å]. The phenyl group is disordered over two positions with site occupancies of 0.55 and 0.45, and is oriented in a nearly perpendicular configuration to the quinoline ring [the dihedral angles between the quinoline ring and the major and minor disordered components of the phenyl ring ar...

The assembly of molecular Borromean Rings from constitutionally independent rings in a stepwise manner depends on the preparation of robust “ring-in-ring” complexes. The π-electron rich macrocycle bis-1,5-dinaphtho[50]crown-14 (1) is shown to form a donor-acceptor ring-in-ring complex with the π-electron poor cyclophane cyclobis(paraquat-4,4'-biphenylene) (24+) in solution. In the crystal super...

In the title compound, C(14)H(13)NO(2)S, the thia-zolidine ring is approximately planar with a maximum deviation of 0.112 (1) Å. The furan ring is disordered over two orientations, with an occupancy ratio of 0.901 (5):0.099 (5). The central thia-zolidine ring makes dihedral angles of 85.43 (8), 87.50 (11) and 87.9 (9)° with the phenyl ring and the major and minor components of the disordered fu...

In the structure of the title compound, [Fe(C(5)H(5))(C(14)H(10)N)], the unsubstituted cyclo-penta-diene (Cp) ring is disordered over two positions, with site-occupancy factors 0.76 (2) and 0.24 (2). The dihedral angles between the substituted Cp ring and the major and the minor components of the disordered ring are 0.9 (5) and 6(2)°, repectively. The plane of the acrylonitrile unit makes dihed...