Crystal structure and Hirshfeld surface analysis of ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-di-hydro-quinoxalin-1-yl)acetate.

The quinoxaline moiety in the title mol-ecule, CHClNO, is almost planar (r.m.s.

Crystal structure and Hirshfeld surface analysis of 2,4,6-tri-amino-pyrimidine-1,3-diium dinitrate.

The title compound, CHN ·2NO , crystallizes in the monoclinic crystal system, space group 2/. The asymmetric unit, which comprises a diprotonated tri-amino-pyrimidine dication and two nitrate anions, has an almost planar geometry with a dihedral angle of 0.92 (4)° between the mean plane of the cation and that defined by both anions.

Crystal structure of ()-3-({6-[2-(4-chloro-phen-yl)ethen-yl]-3-oxo-2,3-di-hydro-pyridazin-4-yl}meth-yl)pyridin-1-ium chloride dihydrate.

In the title compound, CHClNO·Cl·2HO, three intra-mol-ecular hydrogen bonds are observed, N-H⋯O, O-H⋯Cl and O-H⋯O. In the crystal, mol-ecules are connected by C-H⋯Cl and N-H⋯O hydrogen bonds. Strong C-H⋯Cl, N-H⋯O, O-H⋯Cl and O-H⋯O hydrogen-bonding inter-actions are implied by the Hirshfeld surface analysis, which indicate that H⋯H contacts make the largest contribution to the overall crystal packing at 33.

Crystal structure and Hirshfeld surface analysis of dimethyl 3,3'-{[(1,2)-ethane-1,2-diyl-idene]bis(aza-nylyl-idene)}bis-(4-methyl-benzoate).

The title Schiff base compound, CHNO, synthesized by the condensation reaction of methyl 3-amino-4-methyl-benzoat and glyoxal in ethanol, crystallizes in the the monoclinic space group 2/. The mol-ecule is Z-shaped with the C-N-C-C torsion angle being 47.58 (18)°.

Crystal structure and Hirshfeld surface analysis of ()-4-{[4-(3-methyl-3-phenyl-cyclo-but-yl)thia-zol-2-yl]amino}-4-oxobut-2-enoic acid.

The title cyclo-butyl compound, CHNOS, was synthesized by the inter-action of 4-(3-methyl-3-phenyl-cyclo-but-yl)thia-zol-2-amine and maleic anhydride, and crystallizes in the ortho-rhom-bic space group 222 with ' = 1. The mol-ecular geometry is partially stabilized by an intra-molecular N-H⋯O hydrogen bond forming an (7) ring motif. The mol-ecule is non-planar with a dihedral angle of 88.

Crystal structure and mol-ecular docking study of diethyl 2,2'-({[(1,1')-(hydrazine-1,2-diyl-idene)bis-(methanylyl-idene)]bis-(4,1-phenyl-ene)}bis-(-oxy))di-acetate.

The title Schiff base, CHNO, adopts an configuration. The mol-ecule is planar, the mean planes of the phenyl ring system (r.m.

Crystal structure and Hirshfeld surface analysis of 6,6'-((1,1')-{[1,4-phenyl-enebis(methyl-ene)]bis(aza-nylyl-idene)}bis-(methane-ylyl-idene))bis-(2-meth-oxy-phenol).

The Schiff base compound, CHNO, was synthesized by the inter-action of 2-hy-droxy-3-meth-oxy benzaldehyde and 1,4-benzene dimethanamine in ethanol, and crystallizes in the monoclinic space group 2/ with ' = 0.5. The mol-ecule is not planar, the 1,4-di-ethyl-benzene and the phenol rings are twisted with respect to each other, making a dihedral angle of 74.

Crystal structure and Hirshfeld surface analysis of 3-(hy-droxy-meth-yl)-3-methyl-2,6-di-phenyl-piperidin-4-one.

A new synthesis of the title compound, CHNO, was developed with good yield and purity using the reaction of 4-hy-droxy-3-methyl-2-butanone, benzaldehyde and ammonium acetate in glacial acetic acid as a solvent. The central piperidine ring adopts a chair conformation, and its least-squares basal plane forms dihedral angles of 85.71 (11) and 77.

Crystal structure and Hirshfeld surface analysis of 2-{[()-(3-cyclo-butyl-1-1,2,4-triazol-5-yl)imino]-meth-yl}phenol.

The title compound, CHNO, was developed using the reaction of salicyl-aldehyde and 3-amino-5-cyclo-butyl-1,2,4-triazole in ethanol under microwave irradiation. This eco-friendly microwave-promoted method proved to be efficient in the synthesis of 2-{[()-(3-cyclo-butyl-1-1,2,4-triazol-5-yl)imino]-meth-yl}phenol in good yields and purity. The title compound is a Schiff base that exists in the phenol-imine tautomeric form and adopts an configuration.

Crystal structure and Hirshfeld surface analysis of bis-[(eth-oxy-methane-thio-yl)sulfanido](,,','-tetra-methyl-ethane-1,2-di-amine)-mercury(II).

The title four-coordinate mononuclear complex, [Hg(CHOS)(CHN)] or [Hg(CHOS)(tmeda)] (tmeda: ,,','-tetra-methyl-ethane-1,2-di-amine), has a distorted tetra-hedral geometry. The Hg ion is coordinated to two N atoms of the ,,','-tetra-methyl-ethylenedi-amine ligand and two S atoms from two ethylxanthate xanthate ligands. In the crystal, mol-ecules are linked by weak C-H⋯S hydrogen bonds, forming a two-dimensional supra-molecular architecture in the plane.

Crystal structure and Hirshfeld surface analysis of ()-2-{[(2,4-di-methyl-phen-yl)imino]-meth-yl}-4-methyl-phenol.

The title compound, CHNO, is a Schiff base that exists in the enol-imine tautomeric form and adopts a configuration. The mol-ecule is non-planar, with the twisted rings making a dihedral angle of 39.92 (4)°.

Crystal structure and Hirshfeld surface analysis of a copper(II) complex containing 2-nitro-benzoate and tetra-methyl-ethylenedi-amine ligands.

The reaction of copper(II) sulfatepentahydrate with 2-nitro-benzoic acid and ,,','-tetra-methyl-ethylenedi-amine (TMEDA) in basic solution produces the complex bis-(2-nitro-benzoato-κ)(,,','-tetra-methyl-ethylenedi-amine-κ ,')copper(II), [Cu(CHNO)(CHN)] or [Cu(2-nitro-benzoate)(tmeda)]. Each carboxyl-ate group of the 2-nitro-benzoate ligand is coordinated by Cu atom in a monodentate fashion and two TMEDA ligand nitro-gen atoms are coordinate by the metal center, giving rise to a distorted square-planar coordination environment. In the crystal, metal complexes are linked by centrosymmetric C-H⋯O hydrogen bonds, forming ribbons a (10) ring motif.

Crystal structure and Hirshfeld surface analysis of 2-methyl-3-nitro--[()-(5-nitro-thio-phen-2-yl)methyl-idene]aniline.

The title compound, CHNOS, synthesized by condensation of 5-nitro-thio-phene-2-carbaldehyde and 2-methyl-3-nitro-aniline, crystallizes in the ortho-rhom-bic space group 222. In the mol-ecule, the aromatic benzene and thio-phene rings are twisted with respect to each other, making a dihedral angle of 23.16 (7)°.

Crystal structure and Hirshfeld surface analysis of ()-2-{[(2-iodo-phen-yl)imino]-meth-yl}-6-methyl-phenol.

The title compound, CHINO, was synthesized by condensation of 2-hy-droxy-3-methyl-benzaldehyde and 2-iodo-aniline, and crystallizes in the ortho-rhom-bic space group 222. The 2-iodo-phenyl and benzene rings are twisted with respect to each other, making a dihedral angle of 31.38 (2)°.

Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetra-hydro-benzo[]benzo[5,6][1,4]oxazino[2,3-][1,4]oxazine.

Mol-ecules of the title compound, CHNO, occupy special positions on the twofold rotation axes. The heterocyclic ring adopts a slightly twisted envelope conformation with one of the two junction carbon atoms as the flap. The mean planes through the two halves of the mol-ecule form a dihedral angle of 72.

Synthesis, crystal structures and Hirshfeld surface analysis of 1,4-dibenzyl-6-methyl-1,4-di-hydro-quinoxaline-2,3-dione.

The title quinoxaline mol-ecule, CHNO, is not planar, the dihedral angle angle between the mean planes of the benzene rings being 72.54 (15)°. In the crystal, mol-ecules are connected into chains extending parallel to (10) by weak C-H⋯O hydrogen bonds.