()-,-Diethyl-4-{[(4-meth-oxy-phen-yl)imino]-meth-yl}aniline: crystal structure, Hirshfeld surface analysis and energy framework.

In the title benzyl-ideneaniline Schiff base, CHNO, the aromatic rings are inclined to each other by 46.01 (6)°, while the C-N= C-C torsion angle is 176.9 (1)°.

The synthesis and crystal structure of (E)-2-{[(4-methoxynaphthalen-1-yl)methylidene]amino}-4-methylphenol: Hirshfeld surface analysis, DFT calculations and anticorrosion studies.

The title Schiff base compound, (E)-2-{[(4-methoxynaphthalen-1-yl)methylidene]amino}-4-methylphenol, CHNO (I), was synthesized via the reaction of 2-amino-4-methylphenol with 4-methoxynaphthalene-1-carbaldehyde. The structure of I was characterized by NMR, IR and UV-Vis spectroscopies in different solvents. The interatomic contacts in the crystal structure were explored using Hirshfeld surface analysis, which, together with the two-dimensional fingerprint plots, confirm the predominance of dispersion forces in the crystal structure.

Synthesis and crystal structures of two 1H-benzo[d]imidazole derivatives: DFT and anticorrosion studies, and Hirshfeld surface analysis.

The title benzimidazole compounds, namely, 2-(4-methoxynaphthalen-1-yl)-1H-benzo[d]imidazole, CHNO (I) and 2-(4-methoxynaphthalen-1-yl)-1-[(4-methoxynaphthalen-1-yl)methyl]-1H-benzo[d]imidazole ethanol monosolvate, CHNO·CHO (II), were synthesized by the condensation reaction of benzene-1,2-diamine with 4-methoxynaphthalene-1-carbaldehyde in the ratios 1:1 and 1:2, respectively. In I, the mean plane of the naphthalene ring system is inclined to that of the benzimidazole ring by 39.22 (8)°, while in II, the corresponding dihedral angle is 64.

Syntheses, crystal structures, Hirshfeld surface analyses and energy frameworks of two 4-amino-anti-pyrine Schiff base compounds: ()-4-{[4-(di-ethyl-amino)-benzyl-idene]amino}-1,5-dimethyl-2-phenyl-1-pyrazol-3(2)-one and ()-4-[(4-fluoro-benzyl-idene)amino]-1,5-dimethyl-2-phenyl-1-pyrazol-3(2)-one.

The title Schiff base compounds, CHNO () and CHFNO (), were each synthesized by a single-step condensation reaction. The substituted benzyl-idene ring is inclined to the pyrazole ring mean planes by 22.92 (7)° in and 12.

Synthesis, crystal structure and Hirshfeld surface analysis of the ortho-rhom-bic polymorph of 4-bromo--(4-bromo-benzyl-idene)aniline.

The crystal structure of the title compound, CHBrN [systematic name: ()-,1-bis-(4-bromo-phen-yl)methanimine], is a second polymorph (Form II) crystallizing in the ortho-rhom-bic space group . The first polymorph (Form I) crystallizes in the monoclinic space group 2/ [Bernstein & Izak (1975 ▸). , 257-266; Marin (2013 ▸).

Poly[dipotassium [(μ-2,2',2'',2'''-{[pyrazine-2,3,5,6-tetra-yltetra-kis-(methyl-ene)]tetra-kis-(sulfanedi-yl)}tetra-acetato)-disilver(I)] 5.2-hydrate].

The reaction of AgNO with the ligand 2,2',2'',2'''-{[pyrazine-2,3,5,6-tetra-yltetra-kis-(methyl-ene)]tetra-kis-(sulfanedi-yl)}tetra-acetic acid in the presence of a potassium acetate buffer lead to the formation of a silver(I)-potassium-organic framework, poly[dipotassium [(μ-2,2',2'',2'''-{[pyrazine-2,3,5,6-tetra-yltetra-kis(methyl-ene)]tetra-kis-(sulfanedi-yl)}tetra-acetato)-disilver(I)] 5.2-hydrate], {K[Ag(CHNOS)]·5.2HO} , ().

(μ-2,2',2'',2'''-{[Pyrazine-2,3,5,6-tetra-yltetra-kis(methyl-ene)]tetra-kis(sulfanedi-yl)}tetra-acetato)bis-[aqua-nickel(II)] hepta-hydrate.

Reaction of the ligand 2,2',2'',2'''-{[pyrazine-2,3,5,6-tetra-yltetra-kis-(methyl-ene)]tetra-kis-(sulfanedi-yl)}tetra-acetic acid (), with NiCl leads to the formation of a binuclear complex, (μ-2,2',2'',2'''-{[pyrazine-2,3,5,6-tetra-yltetra-kis-(methyl-ene)]tetra-kis-(sulfanedi-yl)}tetra-acetato-κ ,, ,',':κ '','', ,''',''')bis[aqua-nickel(II)] hepta-hydrate, {[Ni(CHNOS)(HO)]·7HO} (). It crystallizes with two half mol-ecules in the asymmetric unit. The complete mol-ecules are generated by inversion symmetry, with the center of the pyrazine rings being located at crystallographic centres of inversion.

A new tetra-kis-substituted pyrazine carb-oxy-lic acid, 3,3',3'',3'''-{[pyrazine-2,3,5,6-tetra-yltetra-kis(methyl-ene)]tetra-kis-(sulfanedi-yl)}tetra-propionic acid: crystal structures of two triclinic polymorphs and of two potassium-organic frameworks.

Two polymorphs of the title tetra-kis-substituted pyrazine carb-oxy-lic acid, 3,3',3'',3'''-{[pyrazine-2,3,5,6-tetra-yltetra-kis-(methyl-ene))tetra-kis-(sulfanedi-yl]}tetra-propionic acid, CHNOS, (), have been obtained, and . Each structure crystallized with half a mol-ecule in the asymmetric unit of a triclinic unit cell. The whole mol-ecules are generated by inversion symmetry, with the pyrazine rings being located about inversion centers.

The crystal structures, Hirshfeld surface analyses and energy frameworks of 8-{1-[3-(cyclo-pent-1-en-1-yl)benz-yl]piperidin-4-yl}-2-meth-oxy-quinoline and 8-{4-[3-(cyclo-pent-1-en-1-yl)benz-yl]piperazin-1-yl}-2-meth-oxy-quinoline.

The title compounds, 8-{1-[3-(cyclo-pent-1-en-1-yl)benz-yl]piperidin-4-yl}-2-meth-oxy-quinoline, CHNO (), and 8-{4-[3-(cyclo-pent-1-en-1-yl)benz-yl]piperazin-1-yl}-2-meth-oxy-quinoline, CHNO (), differ only in the nature of the central six-membered ring: piperidine in and piperazine in . They are isoelectronic (CH . N) and isotypic; they both crystallize in the triclinic space group with very similar unit-cell parameters.

Crystal structure and Hirshfeld surface analysis of the hydro-chloride salt of 8-{4-[(6-phenyl-pyridin-3-yl)meth-yl]piperazin-1-yl}-3,4-di-hydro-quinolin-2(1)-one.

The amine 8-{4-[(6-phenyl-pyridin-3-yl)meth-yl]piperazin-1-yl}-3,4-di-hydro-quinolin-2(1)-one was crystallized as the hydro-chloride salt, 4-(2-oxo-1,2,3,4-tetra-hydro-quinolin-8-yl)-1-[(6-phenyl-pyridin-3-yl)meth-yl]piperazin-1-ium chloride, CHN ·Cl (). The conformation of the organic cation is half-moon in shape enclosing the chloride anion. The piperidine ring of the 3,4-di-hydro-quinolin-2(1)-one moiety has a screw-boat conformation, while the piperazine ring has a chair conformation.

(8-Hy-droxy-6-meth-oxy-1-oxo-1-isochromen-3-yl)methyl formate: a supra-molecular framework.

In the title compound, CHO, an intra-molecular O-H⋯O hydrogen bond forms an (6) ring motif. The mol-ecule is essentially planar with an r.m.

Crystal structures and Hirshfeld surface analyses of 6,8-dimeth-oxy-3-methyl-1-isochromen-1-one and 5-bromo-6,8-dimeth-oxy-3-methyl-1-isochromen-1-one chloro-form monosolvate.

In the mol-ecule of 6,8-dimeth-oxy-3-methyl-1-isochromen-1-one, CHO, (), the two meth-oxy groups are directed with respect to each other. In the mol-ecule of the brom-inated derivative, 5-bromo-6,8-dimeth-oxy-3-methyl-1-isochromen-1-one, that crystallized as a chloro-form monosolvate, CHBrO·CHCl, ( ), the meth-oxy groups are directed to each other. In the crystal of , mol-ecules are linked by bifurcated C-H⋯O hydrogen bonds, forming chains along the -axis direction.

The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(meth-oxy-carbon-yl)-3,6-bis-(meth-oxy-meth-oxy)phen-yl]acetic acid.

In the title compound, CHO, (), the meth-oxy-carbonyl [-C(=O)OCH] and the acetic acid [-CHC(=O)OH] groups are inclined to the benzene ring by 79.24 (11) and 76.71 (13)°, respectively, and are normal to each other with a dihedral angle of 90.

Crystal structures of [(μ-L1)di-bromidodicopper(II)] dibromide and poly[[(μ-L1)diiodido-dicopper(I)]-di-μ-iodido-dicopper(I)], where L1 is 2,5,8,11,14,17-hexa-thia-[9.9](2,6,3,5)-pyrazino-phane.

The reaction of the hexa-thia-pyrazino-phane ligand, 2,5,8,11,14,17-hexa-thia-[9.9](2,6,3,5)-pyrazino-phane (), with copper(II) dibromide led to the formation of a binuclear complex, [μ-2,5,8,11,14,17-hexa-thia-[9.9](2,6,3,5)-pyrazino-phane]bis-[bromi-docopper(II)] dibromide, [CuBr(CHNS)]Br, ().

The crystal structures, Hirshfeld surface analyses and energy frameworks of two hexa-thia-pyrazino-phane regioisomers; 2,5,8,11,14,17-hexa-thia-[9.9](2,6,3,5)-pyrazino-phane and 2,5,8,11,14,17-hexa-thia-[9.9](2,5,3,6)-pyrazino-phane.

The title thia-pyrazino-phanes, 2,5,8,11,14,17-hexa-thia-[9.9](2,6,3,5)-pyrazino-phane, CHNS, (), and 2,5,8,11,14,17-hexa-thia-[9.9](2,5,3,6)-pyrazino-phane, CHNS, (), are regioisomers; -bis L1 and -bis L1, respectively.

The crystal structure and Hirshfeld surface analysis of 1-(2,5-di-meth-oxy-phen-yl)-2,2,6,6-tetra-methyl-piperidine.

In the title compound, CHNO, the piperidine ring has a chair conformation and is positioned normal to the benzene ring. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming chains propagating along the -axis direction.

Silver(I) nitrate two-dimensional coordination polymers of two new pyrazine-thio-phane ligands: 5,7-di-hydro-1,3-dithieno[3,4-:3',4'-]pyrazine and 3,4,8,10,11,13-hexa-hydro-1,6-bis-([1,4]di-thio-cino)[6,7-:6',7'-]pyrazine.

The two new pyrazine-ophanes, 5,7-di-hydro-1,3-dithieno[3,4-:3',4'-]pyrazine, CHNS, , and 3,4,8,10,11,13-hexa-hydro-1,6-bis-([1,4]di-thio-cino)[6,7-:6',7'-]pyrazine, CHNS, , both crystallize with half a mol-ecule in the asymmetric unit; the whole mol-ecules are generated by inversion symmetry. The mol-ecule of , which is planar (r.m.

Poly[[μ-3,4,8,10,11,13-hexa-hydro-1,6-bis-([1,4]di-thio-cino)[6,7-:6',7'-]pyrazine]di-μ-iodido-dicopper(I)]: a two-dimensional copper(I) coordination polymer.

The reaction of ligand 3,4,8,10,11,13-hexa-hydro-1,6-bis-([1,4]di-thio-cino)[6,7-:6',7'-]pyrazine () with CuI led to the formation of a two-dimensional coordination polymer, incorporating a [CuI] motif. These units are linked the four S atoms of the ligand to form the title two-dimensional coordination poly-mer, poly[[μ-3,4,8,10,11,13-hexa-hydro-1,6-bis-([1,4]di-thio-cino)[6,7-:6',7'-]pyrazine]di-μ-iodido-dicopper(I)], [CuI(CHNS)] , (). The asymmetric unit is composed of a ligand mol-ecule, two copper(I) atoms and two I ions.

Poly[(μ-5,7-di-hydro-1,3-dithieno[3,4-:3',4'-]pyrazine-κ :'::')tetra-μ-iodido-tetra-copper]: a three-dimensional copper(I) coordination polymer.

The reaction of ligand 5,7-di-hydro-1,3-dithieno[3,4-:3',4'-]pyrazine () with CuI lead to the formation of a three-dimensional coordination polymer, incorporating the well known [Cu I ] staircase motif ( = 4). These polymer [CuI] chains are linked the N and S atoms of the ligand to form the three-dimensional coordination polymer poly[(μ-5,7-di-hydro-1,3-dithieno[3,4-:3',4'-]pyrazine-κ :'::')tetra-μ-iodido-tetra-copper], [CuI(CHNS)] (). The asymmetric unit is composed of half a ligand mol-ecule, with the pyrazine ring located about a center of symmetry, and two independent copper(I) atoms and two independent I ions forming the staircase motif centers of inversion symmetry.

Whole-mol-ecule disorder of the Schiff base compound 4-chloro--(4-nitro-benzyl-idene)aniline: crystal structure and Hirshfeld surface analysis.

In the crystal of the title Schiff base compound, CHClNO, [CNBA; systematic name: ()--(4-chloro-phen-yl)-1-(4-nitro-phen-yl)methanimine], the CNBA mol-ecule shows whole-mol-ecule disorder (occupancy ratio 0.65:0.35), with the disorder components related by a twofold rotation about the shorter axis of the mol-ecule.

The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand ,','','''-[pyrazine-2,3,5,6-tetra-yltetra-kis-(methyl-ene)]tetra-kis-(-methyl-aniline).

The whole mol-ecule of the cadmium(II) complex, di-iodido-{,','','''-[pyrazine-2,3,5,6-tetra-yltetra-kis-(methyl-ene)]tetra-kis-(-methyl-aniline)-κ , , }cadmium(II), [CdI(CHN)], (), of the ligand ,','','''-[pyrazine-2,3,5,6-tetra-yltetra-kis-(methyl-ene)]tetra-kis-(-methyl-aniline) (), is generated by a twofold rotation symmetry; the twofold axis bis-ects the cadmium atom and the nitro-gen atoms of the pyrazine ring. The ligand coordinates in a mono-tridentate manner and the cadmium atom has a fivefold CdNI coordination environment with a distorted shape. In the zinc(II) complex, dichlorido{,','','''-[pyrazine-2,3,5,6-tetra-yltetra-kis-(methyl-ene)]tetra-kis-(-methyl-aniline)-κ , , }zinc(II) di-chloro-methane 0.

Syntheses and crystal structures of a new pyrazine dicarboxamide ligand, , -bis-(quinolin-8-yl)pyrazine-2,3-dicarboxamide, and of a copper perchlorate binuclear complex.

The title pyrazine dicarboxamide ligand, , -bis-(quinolin-8-yl)pyrazine-2,3-dicarboxamide (), CHNO, has a twisted conformation with the outer quinoline groups being inclined to the central pyrazine ring by 9.00 (6) and 78.67 (5)°, and by 79.

The crystal structures of the ligand -(quinolin-8-yl)pyrazine-2-carboxamide and of a tetra-nuclear copper(II) complex.

The title tridentate ligand, CHNO, -(quinolin-8-yl)pyrazine-2-carboxamide (), crystallizes with three independent mol-ecules (, and ) in the asymmetric unit. All three mol-ecules are relatively planar (r.m.