organic compounds
Open access
In the title molecule, C36H39ClN4OS, the non-aromatic part of the cyclohex-1-enyl ring and the attached tert-butyl group are disordered over two conformations with occupancy ratios of 0.52 (3):0.48 (3) and 0.53 (3):0.47 (3), respectively. The polyene chain single- and double-bond dimensions contrast with a closely related compound [Bouit et al. (2007). Chem. Mater. 19, 5325–5335] with an approximate 19° twist between donor and acceptor ends of the molecule, related to the additional intramolecular C—HS interaction. In the title compound, the molecules pack into dimeric units about centres of symmetry utilizing weak C—HN(cyano) and C—HO attractive interactions, building both chain and ring motifs about the centres [R22(8) and R22(9)]. Adjacent dimeric sets then form a herringbone configuration.
organic compounds
Open access
The asymmetric unit of the title compound, 2C20H22N3O3+·SO42−·H2O, contains four cations, two sulfate anions and two lattice water molecules. One of the four cations shows a different conformation of the hydroxyethyl group; the remaining three are all essentially superimposable. Two cations exhibit two-site orientational disorder [ratios = 0.524 (5):0.476 (5) and 0.616 (6):0.384 (6)] of the last two atoms of their hydroxyethyl groups, and one water molecule is disordered over two positions in a 0.634 (13):0.366 (13) ratio. Each imine H atom is intramolecularly in contact with the adjacent carboxyl O atom, forming an S(6) motif, while all the carboxylic acid H atoms are hydrogen bonded to O atoms of the sulfate anions. Other notable hydrogen-bond interactions involve (methylene, phenyl and imine chain) C—HO (sulfate and carboxyl) and O—HO(water) contacts, making up a comprehensive three-dimensional network involving D22(n), with n = 4–6 and 15–16, and C22(17) classical hydrogen-bond motifs. The crystal investigated was twinned by pseudomerohedry with a twin component ratio of 0.4745 (12):0.5255 (12).
organic compounds
Open access
The title compound, C20H21N3O, has crystallographic mirror symmetry with all non-H atoms apart from the methyl C atom of the CMe2 group lying on the mirror plane. Molecules are linked into planar sheets parallel to (010) by phenyl–azo C—HN and phenyl–ethanone C—HO interactions. Methyl C—Hπ interactions provide crosslinking between the planes.