Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(di-fluorometh-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate and -butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.

The crystal structures and Hirshfeld surface analyses of three similar compounds are reported. Methyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, (CHFNO), (), crystallizes in the monoclinic space group 2/ with = 8, while isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carb-oxyl-ate, (CHFNO), () and -butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, (CHFNO), () crystallize in the ortho-rhom-bic space group with = 8. In the crystal structure of (), mol-ecules are linked by N-H⋯O and C-H⋯O inter-actions, forming a tri-periodic network, while mol-ecules of () and () are linked by N-H⋯O, C-H⋯F and C-H⋯π inter-actions, forming layers parallel to (002).

Synthesis, characterization, crystal structure and Hirshfeld surface analysis of isobutyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.

In the title compound, CHFNO, which crystallizes in the ortho-rhom-bic 2 space group with = 4, the 1,4-di-hydro-pyridine ring adopts a distorted boat conformation, while the cyclo-hexene ring is in a distorted half-chair conformation. In the crystal, the mol-ecules are linked by N-H⋯O and C-H⋯O inter-actions, forming supra-molecular chains parallel to the axis. These chains pack with C-H⋯π inter-actions between them, forming layers parallel to the (010) plane.

Crystal structures and Hirshfeld surface analyses of ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-phenyl-diazene, ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-methyl-phen-yl)diazene, ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-meth-oxy-phen-yl)diazene and ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(3-methyl-phen-yl)diazene.

The crystal structures and Hirshfeld surface analyses of four similar azo compounds are reported. ()-1-[1-(4--Butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-phenyl-diazene, CHClN, (), and ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-methyl-phen-yl)diazene, CHClN, (), crystallize in the monoclinic space group 2/ with = 8, and ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-meth-oxy-phen-yl)diazene, CHClNO, (), in the monoclinic space group 2/ with = 4. ()-1-[1-(4--Butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(3-methyl-phen-yl)diazene, CHClN, (), crystallizes in the triclinic space group with = 4 and comprises two mol-ecules ( and ) in the asymmetric unit.

Synthesis, crystal structure and Hirshfeld surface analysis of -butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.

The 1,4-di-hydro-pyridine ring of the title compound, CHFNO, adopts a distorted boat conformation, while the cyclo-hexene ring is in an almost twist-boat conformation. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds as well as C-H⋯π inter-actions connect mol-ecules, forming layers parallel to the (100) plane. These layers are linked by van der Waals forces and C-H⋯F inter-actions, which consolidate the crystal structure.

Crystal structures and Hirshfeld surface analyses of ,-di-methyl-acetamide-1-(dimethyl-λ-aza-nyl-idene)ethan-1-ol tribromide (1/1), ,-di-methyl-acetamide-1-(dimethyl-λ-aza-nyl-idene)ethan-1-ol di-bromido-iodate (1/1) and ,-di-methyl-acetamide-1-(dimethyl-λ-aza-nyl-idene)ethan-1-ol di-chlorido-iodate (1/1).

In the title compounds, ,-di-methyl-acetamide-1-(dimethyl-λ-aza-nyl-idene)ethan-1-ol tribromide (1/1), CHNO·CHNO·Br or [(CHNO)·(CHNO)](Br), (), ,-di-methyl-acetamide-1-(dimethyl-λ-aza-nyl-idene)ethan-1-ol di-bromido-iodate (1/1), CHNO·CHNO·BrI or [(CHNO)·(CHNO)](BrI), (), and ,-di-methyl-acetamide-1-(dimethyl-λ-aza-nyl-idene)ethan-1-ol di-chlorido-iodate (1/1), CHNO·CHNO·ClI or [(CHNO)·(CHNO)]·(ClI), (), all the anions are almost linear in geometry and all the cations, except for the methyl H atoms, are essentially planar. In the crystal structure of (), the cations are linked by pairs of C-H⋯O hydrogen bonds, forming inversion dimers with an (8) ring motif. These dimers also exhibit O-H⋯O hydrogen bonding.

Crystal structure and Hirshfeld surface analysis of -[2-(5-methyl-furan-2-yl)phen-yl]-3-nitro--[(3-nitro-phen-yl)sulfon-yl]benzene-sulfonamide.

In the title compound, CHNOS, C-H⋯O hydrogen bonds link adjacent mol-ecules in a three-dimensional network, while π-π stacking inter-actions, with centroid-centroid distances of 3.8745 (9) Å, between the furan and an arene ring of one of the two (3-nitro-phen-yl)sulfonyl groups, result in chains parallel to the axis. The Hirshfeld surface analysis indicates that O⋯H/H⋯O (40.

Synthesis and crystal structure of -poly[[[aqua-{2-[()-(1-cyano-2-imino-2-meth-oxy-ethyl-idene)hydrazin-yl]benzene-sulfonato}-sodium]-di-μ-aqua] dihydrate].

In the polymeric title compound, {[Na(CHNOS)(HO)]·2HO} , sixfold coordinated Na cations are linked into a chain parallel to [010] by sharing common water mol-ecules. Next to the four bridging water mol-ecules, each Na cation of the chain is bonded to the O atom of a terminal water mol-ecule and an O atom of the SO group of the sulfonate anion. Classical O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds and additional π-π inter-actions connect these chains into a three-dimensional network.

Crystal structure and Hirshfeld surface analysis of (2 ,2 ,2 ,2 )-2,2,5-trimethyl-2-(2,2,2-tri-fluoro-acet-yl)-5-aza-2(2,6)-piperidina-1,3(2,5)-di-furana-cyclo-hexa-phan-2-one.

The title compound, CHFNO, features a main twelve-membered difuryl ring with which the furan rings make dihedral angles of 76.14 (5) and 33.81 (5)°.

Crystal structure and Hirshfeld surface analysis of isopropyl 4-[2-fluoro-5-(tri-fluoro-meth-yl)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.

In the title compound, CHFNO, the 1,4-di-hydro-pyridine ring adopts a distorted boat conformation, while the cyclo-hexene ring is almost showing a half-chair conformation. In the crystal, inter-molecular N-H⋯O hydrogen bonds connect the mol-ecules into chains with graph-set motif (6) parallel to the -axis. These chains are linked together by C-H⋯O and C-H⋯F inter-actions, forming a three-dimensional network.

Crystal structure and Hirshfeld surface analysis of 2-(4-chloro-phen-yl)-4-(di-meth-oxy-meth-yl)-5-phenyl-1,3-thia-zole.

In the title compound, CHClNOS, the thia-zole ring subtends dihedral angles of 13.12 (14) and 43.79 (14) ° with the attached chloro-phenyl and phenyl rings, respectively.

Synthesis, characterization, crystal structure and Hirshfeld surface analysis of a hexa-hydro-quinoline derivative: -butyl 4-([1,1'-biphen-yl]-4-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.

The title compound, CHNO, crystallizes with three mol-ecules (, and ) in the asymmetric unit. They differ in the twist of the phenyl and benzene rings of the 1,1'-biphenyl ring with respect to the plane of the 1,4-di-hydro-pyridine ring. In all three mol-ecules, the 1,4-di-hydro-pyridine ring adopts a distorted boat conformation.

Crystal structure and Hirshfeld surface analysis of 4-bromo-2-[3-methyl-5-(2,4,6-tri-methyl-benz-yl)oxazolidin-2-yl]phenol.

The title compound, CHBrNO, is chiral at the carbon atoms on either side of the oxygen atom of the oxazolidine ring and crystallizes as a racemate. The 1,3-oxazolidine ring adopts an envelope conformation with the N atom in an position. The mean plane of the oxazolidine ring makes dihedral angles of 77.

Crystal structure and Hirshfeld surface analysis of ()-2-(4-bromo-phen-yl)-1-[2,2-di-bromo-1-(4-nitro-phen-yl)ethen-yl]diazene.

The mol-ecule of the title compound, CHBrNO, consists of three almost planar groups: the central di-bromo-ethenyldiazene fragment and two attached aromatic rings. The mean planes of these rings form dihedral angles with the plane of the central fragment of 26.35 (15) and 72.

Experimental and computational study on 2,2'-[(1E,2E)-hydrazine-1,2-diylidenedi(1E)eth-1-yl-1-ylidene]diphenol and its Ni(II), Pt(II), Pd(II) complexes.

2,2'-[(1E,2E)-hydrazine-1,2-diylidenedi(1E)eth-1-yl-1-ylidene]diphenol and its dimeric, binuclear Ni(II), Pd(II) and Pt(II) metal complexes were synthesized. Hydrazine derivative and its complexes were characterized by elemental analyses, LC-MS, IR, electronic spectra, (1)H and (13)C NMR spectra, conductivity and magnetic measurements. 1H and 13C shielding tensors for crystal structure were calculated with GIAO/DFT/B3LYP/6-311++G(d,p) methods in CDCl3.

4-Hy-droxy-5-meth-oxy-N,1-dimethyl-2-oxo-N-[4-(tri-fluoro-meth-yl)phen-yl]-1,2-di-hydro-quinoline-3-carboxamide.

The title compound, C20H17F3N2O4, named tasquinimod, is a second-generation oral quinoline-3-carboxamide analogue, which is currently in phase III clinical trials for the treatment of metastatic prostate cancer. The quinoline unit is almost planar (r.m.

Microwave-assisted synthesis and myorelaxant activity of 9-indolyl-1,8-acridinedione derivatives.

In this study a microwave-assisted method was applied for the synthesis of novel 9-(substituted indolyl)-3,4,6,7-tetrahydroacridine-1,8-(2H,5H,9H,10H)-dione derivatives. The structures of the compounds were confirmed by spectral methods including X-ray studies and elemental analysis. The Emax and pD2 values of the compounds and pinacidil were determined on noradrenaline precontracted tissues of isolated strips of rabbit gastric fundus smooth muscle.

7-Methyl-1-phenyl-1,10-di-hydro-pyrazolo-[3,4-a]carbazole.

In the title mol-ecule, C20H15N3, the atoms in the carbazole unit deviate from planarity [maximum deviation from mean plane = 0.1082 (15) Å]. The pyrrole ring makes dihedral angles of 3.

1-(2-Furo-yl)-3-(2-meth-oxy-4-nitro-phen-yl)thio-urea.

The asymmetric unit of the title compound, C13H11N3O5S, contains two independent mol-ecules, which are linked by a pair of inter-molecular N-H⋯S hydrogen bonds, forming an R2(2)(8) ring motif. The central thio-urea core forms dihedral angles of 3.02 (12) and 14.

2,2,7,7-Tetra-methyl-1,2,3,4,5,6,7,8-octa-hydro-acridine-1,8-dione.

The whole molecule of the title compound, C17H21NO2, is generated by twofold rotational symmetry. The N atom and the C and H atoms in position 4 of the pyridine ring lie on the twofold axis. The cyclohexene ring has a sofa conformation with the CH2 C atom adjacent to the dimethyl-substituted C atom displaced by 0.

2-(1-Phenyl-1H-benzimidazol-2-yl)phenol.

In the title mol-ecule, C19H14N2O, the benzimidazole unit is close to being planar [maximum deviation = 0.0253 (11) Å] and forms dihedral angles of 68.98 (6) and 20.

Ethyl 2,7,7-trimethyl-4-(1-methyl-1H-indol-3-yl)-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.

In the title mol-ecule, C24H28N2O3, the cyclo-hexene ring is in a sofa conformation and the 1,4-dihydro-pyridine ring is in a slight boat conformation. In the indole ring system, the pyrrole and benzene rings form a dihedral angle of 2.63 (7)°.

Cinnarizinium fumarate.

In the title salt {systematic name: 4-diphenyl-methyl-1-[(E)-3-phenyl-prop-2-en-1-yl]piperazin-1-ium (2Z)-3-carb-oxy-prop-2-enoate}, C26H29N2(+)·C4H3O4(-), the piperazine ring in the cation adopts a distorted chair conformation and contains a positively charged N atom with quaternary character. The dihedral angle between the mean planes of the phenyl rings of the diphenyl-methyl group is 74.2 (7)° and those between these rings and the phenyl ring of the 3-phenyl-prop-2-en-1-yl group are 12.

catena-Poly[[[O,O'-bis-(2-methyl-phen-yl) dithio-phosphato-κ(2) S,S]lead(II)]-μ-O,O'-bis-(2-methyl-phen-yl) dithio-phosphato-κ(3) S,S':S].

In the title compound, [Pb(C14H14O2PS2)2] n , the metal atom is surrounded by two O,O'-bis-(2-methyl-phen-yl) dithio-phosphate ligands bonding through the S-donor atoms. Three of the Pb-S bond lengths are are close to each other at 2.7710 (18), 2.

Ethyl 4-(5-bromo-1H-indol-3-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.

The title compound, C23H25BrN2O3, crystallizes with two independent mol-ecules in the asymmetric unit (Z' = 2) which differ in the twist of the 5-bromo-1H-indole ring with respect to the plane of the 4-methyl-1,4,5,6,7,8-hexa-hydro-quinoline ring [dihedral angles of 78.55 (9) and 89.70 (8)° in molecules A and B, respectively].

3,3,6,6-Tetra-methyl-9-(1-methyl-1H-indol-2-yl)-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridine-1,8-dione.

In the acridine system of the title mol-ecule, C26H30N2O2, both cyclo-hex-2-enone rings adopt sofa conformations. The indole ring system is essentially planar, with a maximum deviation of 0.017 (2) Å for a bridgehead C atom.