The crystal structures determination and Hirshfeld surface analysis of N-(4-bromo-3-meth­oxy­phen­yl)- and N-{[3-bromo-1-(phenyl­sulfon­yl)-1H-indol-2-yl]meth­yl}- derivatives of N-{[3-bromo-1-(phenylsulfon­yl)-1H-indol-2-yl]meth­yl}benzene­sulfonamide

The crystal structures of two 1H-indole derivatives are described and the analysis of the inter­molecular contacts in the crystals using Hirshfeld surface analysis and two-dimensional fingerprint plots is reported.

Crystal structure and Hirshfeld surface analyses, crystal voids, inter­molecular inter­action energies and energy frameworks of 3-benzyl-1-(3-bromoprop­yl)-5,5-di­phenyl­imidazolidine-2,4-dione

The title mol­ecule adopts a cup-shaped conformation with the distinctly ruffled imidazolidine ring as the base. In the crystal, weak C—H⋯O hydrogen bonds and C—H⋯π(ring) inter­actions form helical chains of mol­ecules extending along the b-axis direction, which are linked by additional weak C—H⋯π(ring) inter­actions across inversion centres.

Triclinic polymorph of bis­[2-methyl-3-(pyridin-2-yl)imidazo[1,5-a]pyridin-2-ium] tetra­chloridocadmium(II)

The photoluminescent properties of the monoclinic and triclinic polymorphs in the solid state are strictly comparable, presumably because the spatial organization of both polymorphs is quite similar.

N,N′-Di­benzyl­ethyl­enedi­ammonium dichloride

Modulation of the phenyl groups in N,N′-di­benzyl­ethyl­enedi­ammonium dichloride in P2₁/n allows for the formation of a network of strong N—H⋯Cl hydrogen bonds and C—H⋯Cl inter­actions and breaks C2/c symmetry.

Crystal structure of a hydrogen-bonded 2:1 co-crystal of 4-nitro­phenol and 4,4′-bi­pyridine

4-Nitro­phenol and 4,4′-bi­pyridine crystallized together in a 2:1 ratio and in the space group P2₁/n. There is a hydrogen-bonding inter­action between the nitro­gen atoms on the 4,4′-bi­pyridine mol­ecule and the hydrogen atom on the hydroxyl group on the 4-nitro­phenol resulting in trimolecular units.

Synthesis and crystal structure of sodium (ethane-1,2-di­yl)bis­[(3-meth­oxy­prop­yl)phosphinodi­thiol­ate] octa­hydrate

In the title compound, the dianionic [CH₃O(CH₂)₃P(=S)(S—)CH₂CH₂P(=S)(S—)(CH₂)₃OCH₃]²⁻ ligand fragments are joined by a dicationic [Na₂(H₂O)₈]²⁺ cluster that includes the oxygen of the meth­oxy­propyl unit of the ligand to form infinite chains.

Mercury(II) halide complex of cis-[(^tBuNH)(Se)P(μ-N^tBu)₂P(Se)(NH^tBu)]

The crystal structure of a mercury(II) halide complex containing bis­(tert-butyl­amido)­cyclo­diphosphazane ligand with an unusual chelation mode is reported. The mol­ecular structure features weak N—H⋯O inter­actions that propagate and link the mol­ecules into a three-dimensional structure.

Crystal structures of two different multi-component crystals consisting of 1-(3,4-di­meth­oxy­benz­yl)-6,7-di­meth­oxy­iso­quinoline and fumaric acid

Two different multi-component crystals consisting of papaverine [1-(3,4-di­meth­oxy­benz­yl)-6,7-di­meth­oxy­iso­quinoline, C₂₀H₂₁NO₄] and fumaric acid [C₄H₄O₄] were obtained.

Synthesis, crystal structure and properties of μ-tetra­thio­anti­monato-bis­[(cyclam)zinc(II)] perchlorate 0.8-hydrate

In the title compound, the [SbS₄]^3– anions bridge two Zn(cyclam)²⁺ cations into [Zn₂(cyclam)₂SbS₄]⁺ cations, which are charged-balanced by perchlorate anions. The components are linked by N—H⋯O, N—H⋯S and O—H⋯S hydrogen bonds into a three-dimensional network.

Crystal structure and Hirshfeld surface analysis of (nitrato-κ²O,O′)(1,4,7,10-tetra­aza­cyclo­dodecane-κ⁴N)nickel(II) nitrate

The crystal structure of [(1,4,7,10-tetra­aza­cyclo­dodeca­ne)(nitrate)]nickel(II) nitrate, at room temperature, has monoclinic (P2₁/n) symmetry. The structure displays inter­molecular hydrogen bonding.

Synthesis and crystal structure of 1H-1,2,4-triazole-3,5-di­amine monohydrate

1H-1,2,4-Triazole-3,5-di­amine monohydrate was synthesized and its crystal structure was determined. Two 3,5-di­amino-1,2,4-triazole mol­ecules form mutual hydrogen bonds.

Synthesis, crystal structure and absolute configuration of (3aS,4R,5S,7aR)-7-(but-3-en-1-yn-1-yl)-2,2-di­methyl-3a,4,5,7a-tetra­hydro-2H-1,3-benzodioxole-4,5-diol

The crystal structure of the title compound was solved to confirm the relative absolute configuration of the chiral centers.

Synthesis, structures and Hirshfeld surface analyses of 2-hy­droxy-N′-methyl­acetohydrazide and 2-hy­droxy-N-methyl­acetohydrazide

The crystal structures of 2-hy­droxy-N′-methyl­acetohydrazide and 2-hy­droxy-N-methyl­acetohydrazide are reported and discussed.

Crystal structure of (μ₂-7-{[bis­(pyridin-2-ylmeth­yl)amino-1κ³N,N′,N′′]meth­yl}-5-chloro­quinolin-8-olato-2κN;1:2κ²O)tri­chlorido-1κCl,2κ²Cl-dizinc(II)

The title compound is a dinuclear zinc(II) complex with three chlorido ligands and one penta­dentate ligand containing quinolin-8-olato and bis­(pyridin-2-ylmeth­yl)amine units. One Zn^II atom has a tetra­hedral coordination environment by two chlorido and chelate coordination of the N and O atoms of the quinolin-8-olato unit in the penta­dentate ligand, and the other has a distorted trigonal–bipyramidal coordination environment by one chlorido and four donating atoms except for the N atom of the quinolin-8-olato in the penta­dentate ligand. In the crystal, the mol­ecules are linked by four different kinds of inter­molecular C—H⋯Cl hydrogen bonds, forming a three-dimensional network structure.

Crystal structure, Hirshfeld surface analysis, and DFT and mol­ecular docking studies of 6-cyanona­phthalen-2-yl 4-(benz­yloxy)benzoate

The crystal structure of the title compound is consolidated by C—H⋯O, C—H⋯π and π–π stacking inter­actions. Hirshfeld surface analysis indicates that dispersion energy makes a dominate contribution to the isosurface.

Synthesis, crystal structure and Hirshfeld surface analysis of (2-amino-1-methyl­benzimidazole-κN³)aqua­bis­(4-oxopent-2-en-2-olato-κ²O,O′)nickel(II) ethanol monosolvate

The title compound was synthesized from acetyl­acetone and benzimidazole derivative. There are two independent complex mol­ecules in the asymmetric unit, which are linked by N—H⋯O and O—H⋯O hydrogen bonds along [111].

Crystal structure of [Ni(OH₂)₆]Cl₂·(18-crown-6)₂·2H₂O

A new crystal structure of [Ni(OH₂)₆]Cl₂·(18-crown-6)₂·2H₂O is reported, demonstrating the effect a small chloride counter-ion has on the hydrogen-bonding network.

Crystal structure of N,N′,N′′-tri­cyclo­prop­ylbenzene-1,3,5-tricarboxamide

In the crystal structure, the mol­ecules are connected by N—H⋯O hydrogen bonds to create two-dimensional supra­molecular networks extending parallel to the crystallographic ab plane.

Crystal structure of an aceto­nitrile solvate of 2-(3,4,5-triphen­ylphen­yl)acetic acid

The title mol­ecule adopts a conformation in which the three phenyl rings are arranged in a paddlewheel-like fashion around the central arene ring and the carboxyl residue is oriented nearly perpendicular to the plane of this benzene ring. Inversion-symmetric dimers of O—H⋯O-bonded mol­ecules represent the basic supra­molecular entities of the crystal structure. These dimeric mol­ecular units are further linked by C—H⋯O=C bonds, forming one-dimensional supra­molecular aggregates along [111].

Synthesis and structure of trans-2,5-di­methyl­piperazine-1,4-diium di­hydrogen diphosphate

In the title salt, the complete cation and anion are generated by crystallographic inversion and twofold symmetry, respectively. In the crystal, the di­hydrogen diphosphate anions are linked by O—H⋯O hydrogen bonds, generating (001) layers. The organic cations bond to the inorganic layers by way of N—H⋯O and C—H⋯O hydrogen bonds.

Structural multiplicity in a solvated hydrate of the anti­retroviral protease inhibitor Lopinavir

The multi-component solvated Lopinavir crystal was prepared using evaporative methods. The crystal structure is unusual in that the unit cell contains 18 mol­ecules. The stoichiometric ratio of this crystal is eight Lopinavir mol­ecules, three ethane-1,2-diol mol­ecules and seven water mol­ecules.

Crystal structures and photophysical properties of mono- and dinuclear Zn^II complexes flanked by tri­ethyl­ammonium

Two new zinc(II) complexes, C₂₁H₁₃Cl₂N₂O₃Zn·C₆H₁₆N (ZnOQ) and C₂₀H₁₄Cl₄N₂O₂Zn·2C₆H₁₆N (ZnBS), were synthesized and their structures were determined using ESI–MS spectrometry, ¹H NMR spectroscopy, and single-crystal X-ray diffraction.

Crystal structure of catena-poly[[di­aqua­diimida­zole­cobalt(II)]-μ₂-2,3,5,6-tetra­bromo­benzene-1,4-di­carboxyl­ato]

In [Co(Br₄bdc)(im)₂(H₂O)₂], the Co^II ions are bridged by the Br₄bdc²⁻ ligand, forming one-dimensional chains, which are inter­connected by inter­chain N–H⋯O and O–H⋯O hydrogen-bonding and π–π inter­actions, yielding a three-dimensional network.

Synthesis, crystal structure and Hirshfeld surface analysis of 2-{4-[(2-chloro­phen­yl)meth­yl]-3-methyl-6-oxopyridazin-1-yl}-N-phenyl­acetamide

The phenyl­acetamide moiety is nearly planar due to a weak, intra­molecular C—H⋯O hydrogen bond and its nitro­gen lone pair appears involved in N→C π bonding. In the crystal, N—H⋯O hydrogen bonds and π-stacking inter­actions between pyridazine and phenyl rings form helical chains of mol­ecules, which are linked by C—H⋯O hydrogen bonds and C—H⋯π(ring) inter­actions.

Crystal structure and Hirshfeld surface analysis of the salt 2-iodo­ethyl­ammonium iodide – a possible side product upon synthesis of hybrid perovskites

The organic 2-iodo­ethyl­ammonium cation forms N—H⋯I hydrogen bonds with iodide anions, forming supra­molecular layers.

Salts of 2-amino-5-iodo­pyridinium

Compound 1 is the anhydrous form of the known crystal 2-amino-5-iodo­pyridinium bromide monohydrate and crystallizes in layers inclined ∼40° to the ab face. Hydrogen bonding between the amino and pyridinium ions to the bromide ion acceptor stabilizes the layers. Compound 2 is a salt of 2-amino-5-iodo­pyridium and a trihalidocobaltate(II) ion with one coordinated 2-amino-5-iodo­pyridine ligand. The halide ions are mixed Cl/Br with differing occupancies.

Crystal structure of bis­{5-(4-chloro­phen­yl)-3-[6-(1H-pyrazol-1-yl)pyridin-2-yl]-1H-1,2,4-triazol-1-ido}nickel(II) methanol disolvate

The title compound, a neutral bis­{5-(4-chloro­phen­yl)-3-[6-(1H-pyrazol-1-yl)pyridin-2-yl]-1H-1,2,4-triazol-1-ido}nickel(II) methanol disolvate has a distorted pseudo­octa­hedral coordination environment of the metal ion. As a result of the tapered shape and polar nature, the mol­ecules stack in one-dimensional columns that are bound by weak hydrogen bonds into layers, which are arranged in a three-dimensional structure without inter­layer inter­actions below van der Waals radii.

Synthesis and crystal structure of 1,3,5-tris­[(1H-benzotriazol-1-yl)meth­yl]-2,4,6-tri­ethyl­benzene

The tripodal title mol­ecule exists in a conformation in which the substituents attached to the central arene ring are arranged in an alternating order above and below the ring plane. In the crystal, only weak mol­ecular cross-linking involving C—H⋯N hydrogen bonds is observed.