Synthesis, crystal structure and Hirshfeld surface analysis of bis-(acetyl-acetonato-κ ,')(2-amino-1-methyl-1-benzimidazole-κ )copper(II).

The title compound, [Cu(CHO)(CHN)], crystallizes in the ortho-rhom-bic space group . In the crystal structure, the Cu ion is coordinated by two acetyl-acetonate ligands and one 2-amino-1-methyl-1-benzimidazole ligand. The crystal structure features intra-molecular N-H⋯O and inter-molecular N-H⋯O hydrogen bonds, which contribute to the overall cohesion of the crystal.

Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetra-aqua-bis-{2-[(5-methyl-1,3,4-thia-diazol-2-yl)sulfan-yl]acetato-κ}cobalt(II).

A novel coordination compound, [Co()(HO)], was synthesized from aqueous solutions of Co(NO) and the ligand 2-[(5-methyl-1,3,4-thia-diazol-2-yl)sulfan-yl]acetic acid (H, CHNOS). In the monoclinic crystals (space group 2/), the cobalt(II) ion is located about a centre of symmetry and is octa-hedrally coordinated by two anions in a monodentate fashion through carboxyl O atoms and by four water mol-ecules. A relatively strong hydrogen bond between one of the water mol-ecules and the non-coordinating carboxyl-ate O atom consolidates the conformation.

Synthesis, crystal structure and Hirshfeld surface analysis of (2-amino-1-methyl-benzimidazole-κ )aqua-bis-(4-oxopent-2-en-2-olato-κ ,')nickel(II) ethanol monosolvate.

The mol-ecule of the title compound, [Ni(CHO)(CHN)(HO)]·CHOH, has triclinic () symmetry. This compound is of inter-est for its anti-microbial properties. The asymmetric unit comprises two independent complex mol-ecules, which are linked by N-H⋯O and O-H⋯O hydrogen bonds along [111].

8-Hy-droxy-quinolinium tri-chlorido-(pyridine-2,6-di-carb-oxy-lic acid-κ ,,')copper(II) dihydrate.

The title compound, (CHNO)[CuCl(CHNO)]·2HO, was prepared by reacting Cu acetate dihydrate, solid 8-hy-droxy-quinoline (8-HQ), and solid pyridine-2,6-di-carb-oxy-lic acid (Hpydc), in a 1:1:1 molar ratio, in an aqueous solution of dilute hydro-chloric acid. The Cu atom exhibits a distorted CuONCl octa-hedral geometry, coordinating two oxygen atoms and one nitro-gen atom from the tridentate Hpydc ligand and three chloride atoms; the nitro-gen atom and one chloride atom occupy the axial positions with Cu-N and Cu-Cl bond lengths of 2.011 (2) Å and 2.

Synthesis, crystal structure, and Hirshfeld surface analysis of 1,3-di-hydro-2-benzimidazol-2-iminium 3-carb-oxy-4-hy-droxy-benzene-sulfonate.

The asymmetric unit of the title salt, CHN ·CHOS, comprises two 1,3-di-hydro-2-benzimidazol-2-iminium cations and two 2-hy-droxy-5-sulfobenzoate anions (' = 2). In the crystal, the mol-ecules inter-act through N-H⋯O, O-H⋯O hydrogen bonds and C-O⋯π contacts. The hydrogen-bonding inter-actions lead to the formation of layers parallel to (01).

Norfloxacinium nitrate.

In the title salt [systematic name: 4-(3-carb-oxy-1-ethyl-6-fluoro-4-oxo-1,4-di-hydro-quin-olin-7-yl)piperazin-1-ium nitrate], CHFNO ·NO , proton transfer from nitric acid to the N atom of the piperazine ring of norfloxacin has occurred to form a mol-ecular salt. In the extended structure, N-H⋯O hydrogen bonds link alternating cations and anions into [100] chains, which are reinforced by aromatic π-π stacking inter-actions between the quinoline moieties of the norfloxacinium cations.

Bis(8-hy-droxy-quinolinium) naphthalene-1,5-di-sulfonate tetra-hydrate.

The inter-action between 8-hy-droxy-quinoline (8HQ, CHNO) and naphthalene-1,5-di-sulfonic acid (HNDS, CHOS) in aqueous media results in the formation of the salt hydrate bis-(8-hy-droxy-quinolinium) naphthalene-1,5-di-sulfonate tetra-hydrate, 2CHNO·CHOS ·4HO. The asymmetric unit comprises one protonated 8HQ cation, half of an NDS dianion symmetrically disposed around a center of inversion, and two water mol-ecules. Within the crystal structure, these components are organized into chains along the [010] and [10] directions through O-H⋯O and N-H⋯O hydrogen-bonding inter-actions, forming a di-periodic network parallel to (101).

Synthesis and crystal structure of bis-(2-aminobenzimidazolium) -[metavanadate(V)].

The structure of polymeric -poly[2-amino-benzimidazolium [[dioxidovanadium(V)]-μ-oxido]], {(CHN)[VO]} , has monoclinic symmetry. The title compound is of inter-est with respect to anti-cancer activity. In the crystal structure, infinite linear zigzag vanadate (VO) chains, constructed from corner-sharing VO tetra-hedra and that run parallel to the axis, are present.

Synthesis, crystal structure and Hirshfeld surface analysis of bromido-tetra-kis-[5-(prop-2-en-1-yl-sulf-an-yl)-1,3,4-thia-diazol-2-amine-κ]copper(II) bromide.

A novel cationic complex, bromido-tetra-kis-[5-(prop-2-en-1-ylsulfan-yl)-1,3,4-thia-diazol-2-amine-κ ]copper(II) bromide, [CuBr](CHNS)Br, was synthesized. The complex crystallizes with fourfold mol-ecular symmetry in the tetra-gonal space group 4/. The Cu atom exhibits a square-pyramidal coord-ination geometry.

2-Amino-benzoxazole-oxalic acid (2/1).

In the title compound, 2CHNO·CO , proton transfer from oxalic acid to the N atom of the heterocycle has occurred to form a 2:1 molecular salt. In the extended structure, N-H⋯O hydrogen bonds link the components into [100] chains, which feature (8) and (14) loops.

Synthesis and structure of -bis-(4-amino-3-nitro-benzoato-κ)bis-(4-amino-3-nitro-benzoic acid-κ)di-aqua-manganese(II) dihydrate.

The manganese title complex, [Mn(CHNO)(CHNO)(HO)]·2HO, is one of the first 4-amino 3-nitro-benzoic acid (4 A3NBA) monoligand metal complexes to be synthesized. It crystallizes in the centrosymmetric monoclinic space group 2/ with the complex mol-ecules located on inversion centers. Four 4 A3NBA ligand mol-ecules are monodentately coordinated by the Mn ion through the carb-oxy-lic oxygen atoms while the other two positions of the inner coordination sphere are occupied by water mol-ecules, giving rise to a distorted octa-hedron, and two water mol-ecules are in the outer coordination sphere.

Tetra-aqua-(ethane-1,2-di-amine-κ,')nickel(II) naphthalene-1,5-di-sulfonate dihydrate.

The reaction of ethane-1,2-di-amine (en, CHN), the sodium salt of naphthalene-1,5-di-sulfonic acid (HNDS, CHOS), and nickel sulfate in an aqueous solution resulted in the formation of the title salt, [Ni(CHN)(HO)](CHOS)·2HO or [Ni(en)(HO)](NDS)·2HO. In the asymmetric unit, one half of an [Ni(en)(HO)] cation and one half of an NDS anion, and one water mol-ecule of crystallization are present. The Ni cation in the complex is positioned on a twofold rotation axis and exhibits a slight tetra-gonal distortion of the -NiON octa-hedron, with an Ni-N bond length of 2.

Synthesis, crystal structure and Hirshfeld surface analysis of a cadmium complex of naphthalene-1,5-di-sulfonate and -phenyl-enedi-amine.

A novel -phenyl-enedi-amine (opda)-based cadmium complex, bis-(benzene-1,2-di-amine-κ ,')bis-(benzene-1,2-di-amine-κ)cadmium(II) naphthalene-1,5-di-sulfonate, [Cd(CHN)](CHOS), was synthesized. The complex salt crystallizes in the monoclinic space group 2/. The Cd atom occupies a special position and coordinates six nitro-gen atoms from four -phenyl-enedi-amine mol-ecules, two as chelating ligands and two as monodentate ligands.

Synthesis, crystal structure and Hirshfeld surface analysis of di-aqua-bis-(-phenyl-enedi-amine-κ,')nickel(II) naphthalene-1,5-di-sulfonate.

The reaction of -phenyl-enedi-amine (OPD), sodium naphthalene1,5-di-sulfonate (NaNDS) and nickel sulfate in an ethanol-water mixture yielded the title compound, [Ni(OPD)(HO)]·NDS or [Ni(CHN)(HO)](CHOS). This salt consists of a complex [Ni(OPD)(HO)] cation with two bidentate OPD ligands and aqua ligands, and a non-coordinating NDS anion, which is the double-deprotonated form of HNDS. The Ni atom is situated at a center of inversion and exhibits a slightly tetra-gonally distorted {ON} octa-hedral coordination environment, with four shorter equatorial Ni-N bonds [2.

Synthesis, structure and Hirshfeld surface analysis of a coordination compound of cadmium acetate with 2-amino-benzoxazole.

A first coordination compound of 2-amino-benzoxazole (), namely, bis-(2-amino-benzoxazole-κ )bis-(acetato-κ ,')cadmium(II), [Cd(CHCOO)()], has been synthesized from ethanol solutions of Cd(CH(COO) and . In the monoclinic crystals with the space group 2/, the cadmium ions coordinate two neutral mol-ecules in a monodentate fashion through the oxazole N atom, while two acetate ligands are coordinated through the O atoms in a bidentate manner. The coordination polyhedron of the central ion is substanti-ally distorted octa-hedral.

Crystal structure and Hirshfeld surface analysis of 8-aza-niumylquinolinium tetra-chlorido-zincate(II).

The reaction of 8-amino-quinoline, zinc chloride and hydro-chloric acid in ethanol yielded the title salt, (CHN)[ZnCl], which consists of a planar 8-aza-n-ium-yl-quinolinium dication and a tetra-hedral tetra-chloro-zincate dianion. The 8-amino-quinoline moiety is protonated at both the amino and the ring N atoms. In the crystal, the cations and anions are connected by inter-molecular N-H⋯Cl and C-H⋯Cl hydrogen bonds, forming sheets parallel to (001).

Synthesis, crystal structure, Hirshfeld surface analysis and DFT study of the 1,1'-(buta-1,3-diyne-1,4-di-yl)bis-(cyclo-hexan-1-ol).

The title compound, CHO, was synthesized in order to obtain its guest-free form because 'wheel-and-axle'-shaped mol-ecules tend to crystallize from solutions as solvates or host-guest mol-ecules. It crystallizes in the monoclinic space group 2/ with two crystallographically non-equivalent mol-ecules, one situated on an inversion center and the other on a twofold axis. The rod-like 1,3-diyne fragments have the usual linear geometry.

Synthesis, crystal structure and Hirshfeld surface analysis of -poly[[bis-(semicarbazide-κ ,)copper(II)]-μ-sulfato-κ :'].

The title polymer, [Cu(SO)(CHNO)] , has been synthesized from aqueous solutions of CuSO and semicarbazide. In the crystal structure, the Cu atoms are chelated by two neutral semicarbazide mol-ecules through the oxygen atom and a nitro-gen atom of the amino group. The remaining two positions of the Jahn-Teller-distorted octa-hedral coordination sphere are occupied by oxygen atoms of two sulfate anions in the axial positions.

2-Hy-droxy-ethyl-ammonium [2-(2,6-di-chloro-anilino)phen-yl]acetate monohydrate.

In the solid-state structure of the title compound derived from diclofenac, CHNO·CHClNO ·HO, the asymmetric unit contains one cation, one anion and a water mol-ecule, all in general positions. A complex network of hydrogen bonds is present in the crystal structure.

Synthesis, crystal structure and Hirshfeld surface analysis of (1-benzimidazol-2-yl)(morpholin-4-yl)methane-thione.

The title compound, CHNOS, was synthesized the Willgerodt-Kindler method. The benzimidozole moiety is essentially planar (r.m.

Synthesis, crystal structure and Hirshfeld surface analysis of hexa-aqua-nickel(II) bis-(4-hy-droxy-benzoate) dihydrate.

The title compound, [Ni(HO)](PHB)·2HO () (PHB = 4-hy-droxy-benzoate, CHO), was obtained by the reaction of NiCl, 4-hy-droxy-benzoic acid (PHBA) and mono-ethano-lamine in aqueous ethanol solution. The Ni ion is coordinated by six water mol-ecules and is located on an inversion center. The outer coordination sphere in the asymmetric unit comprises one PHB anion and one water mol-ecule, the compound is a salt and a hydrate consisting of three components.

Synthesis, crystal structure and Hirshfeld surface analysis of a zinc(II) coordination polymer of 5-phenyl-1,3,4-oxa-diazole-2-thiol-ate.

A new zinc coordination polymer with 5-phenyl-1,3,4-oxa-diazole-2-thiol-ate, namely, -poly[zinc(II)-bis-(μ-5-phenyl-1,3,4-oxa-diazole-2-thiol-ato)-κ :;κ : ], [Zn(CHNOS)] , was synthesized. The single-crystal X-ray diffraction analysis shows that the polymeric structure crystallizes in the centrosymmetric monoclinic 2/ space group. The Zn atom is coordinated to two S and two N atoms from four crystallographically independent () ligands, forming zigzag chains along the [001] direction.

The mol-ecular and crystal structures of 2-(3-hy-droxy-prop-yl)benzimidazole and its nitrate salt.

2-(3-Hy-droxy-prop-yl)-1-benzimidazole, CHNO, which has potential biological activity, can be used as a ligand for complexation with metals. This compound is an electron donor, due to the lone pair of the nitro-gen atom in the imidazole ring. This nitro-gen atom also acts as a proton acceptor.

Crystal structure, Hirshfeld surface analysis and DFT studies of tetra-kis-(μ-3-nitro-benzoato-κ : )bis-[(,-di-methyl-formamide-κ)copper(II)] di-methyl-formamide disolvate.

The title compound, [Cu(CHNO)(CHNO)]·(CHNO), is a binuclear copper(II) complex located on an inversion center midway between the two copper(II) cations. The asymmetric unit consists of one Cu cation, two 3-nitro-benzoato ligands, and two di-methyl-formamide (DMF) mol-ecules, one of which coordinates to the Cu cation and one is a solvate mol-ecule. The carboxyl-ate groups of the ligands bridge two Cu cations with a Cu-Cu distance of 2.

Crystal structure and Hirshfeld surface analysis of the ortho-rhom-bic polymorph of a Zn complex with 3,5-di-nitro-benzoic acid and ethyl-enedi-amine.

During systematic investigations of the biological action enhancement of well known compounds, a new metal complex, namely, bis-(3,5-di-nitro-benzoato)(ethane-1,2-di-amine)zinc(II), [Zn(CHNO)(CHN)], was synthesized and the structure of its ortho-rhom-bic form has determined. The synthesis and crystal structure of the monoclinic polymorph has previously been reported [Ibragimov (2020 ▸). , 45-50].