The crystal structure of 2-(3-nitro­phen­yl)-1H-benzimidazole monohydrate revisited

The crystal structure of the title compound has been redetermined in the triclinic centrosymmetric space group P1. The benzene ring and the benzimidazole group are almost coplanar, with N—C—C—C torsion of 2.2 (3) and 5.9 (4)° in the two independent mol­ecules in the unit cell. The crystal structure features N—H⋯O and O—H⋯N hydrogen bonds and offset π–π stacking inter­actions.

Synthesis, crystal structure and Hirshfeld surface analysis of (3aSR,10RS,10aRS)-2-(4-iodo­phen­yl)-1-oxo-5-tosyl-1,2,3,3a,4,5,10,10a-octa­hydro­pyrrolo[3,4-b]carbazole-10-carb­oxy­lic acid–ethanol (4/1)

The asymmetric unit of the title compound contains two crystallographically independent mol­ecules and an ethanol solvent mol­ecule. In the crystal, O—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional architecture, enclosing R⁴₄(23) ring motifs. C—H⋯π(ring) inter­actions and the π–π stacking between the centroids of the parallel rings help to consolidate the packing.

Synthesis and crystal structure of HDAC6 selective inhibitor of N-hy­droxy-4-{2-[(2-hy­droxy­eth­yl)(phen­yl)amino]-2-oxoeth­yl}benzamide monohydrate (HPOB·H₂O)

The crystal structure of the title compound N-hy­droxy-4-{2-[(2-hy­droxy­eth­yl)(phen­yl)amino]-2-oxoeth­yl}benzamide monohydrate (HPOB·H₂O) is reported.

Synthesis, crystal structure, and Hirshfeld surface analysis of bis­{2-[(E)-(p-tolyl­imino)­meth­yl]benzen-1-olato}palladium

The title compound, [C₂₈H₂₄N₂O₂Pd], contains an N,O-bidentate ligand and features a square-planar Pd^II atom coordinated to two chelating ligands. In the crystal, the mol­ecules are linked through weak C—H⋯π inter­actions.

Crystal structures of (S)-(−)-1-(4-chloro­phen­yl)-N-[(pyridin-2-yl)methyl­idene]ethan-1-amine and its cis-di­chlorido­{(S)-(−)-1-(4-chloro­phen­yl)-N-[(pyridin-2-yl)methyl­idene]ethan-1-amine}palladium(II) complex

Both title compounds crystallize in Sohnke space groups. The ligand crystallizes in P2₁, and the complex in P2₁2₁2₁, with the Pd^II atom in a slightly distorted square-planar environment.

Crystal structure of tris­[4-(3,4-di­meth­oxy­thio­phen-2-yl)phen­yl]amine

The crystal structure of tris­[4-(3,4-di­meth­oxy­thio­phen-2-yl)phen­yl]amine (DMOT-TPA) was determined by X-ray diffraction. The central nitro­gen atom is non-pyramidal, with the three para-phenyl­ene rings in a propeller arrangement. The thio­phene rings are twisted by ca. 25–29° relative to the phenyl­ene rings, forming a distorted π-conjugated framework. In the crystal, C—H⋯π inter­actions link mol­ecules into two-dimensional sheets and a three-dimensional network.

Crystal structure and Hirshfeld surface analysis of 1-(2-chloro­acet­yl)-3-methyl-2,6-bis­(4-methylphen­yl)piperidin-4-one

In the title compound, the crystal packing features C—H⋯Cl hydrogen bonds, which form R₂²(12) graph-set motifs.

Syntheses, crystal structures and Hirshfeld surface analyses of (E)-1-[2,2-di­chloro-1-(2,3-di­meth­oxyphen­yl)ethen-1-yl]-2-phenyl­diazene and (E)-1-(4-chloro­phen­yl)-2-[2,2-di­chloro-1-(2,3-di­meth­oxy­phen­yl)ethen-1-yl]diazene

The crystal structures and Hirshfeld surface analyses of two similar azo compounds are reported. In the first, the mol­ecules form layers parallel to the (010) plane through C—H⋯π and C—Cl⋯π inter­actions and van der Waals inter­actions between these layers consolidate the packing. In the other, the mol­ecules are connected by C—H⋯O and C—H⋯Cl hydrogen bonds, forming a three-dimensional network. C—Cl⋯π inter­actions also contribute to the packing.

Hexa­kis­[di­methyl­tin(IV) difluoride] potassium iodide, 6Me₂SnF₂·KI: linear rods of potassium iodide penetrating the pores in planar layers of di­methyl­tin(IV) difluoride

In the solid state, hexa­kis­[di­methyl­tin(IV) difluoride] potassium iodide, (Me₂SnF₂)₆·KI, consists of planar layers of corner-linked {Me₂SnF_4/2} octa­hedra in a snub hexa­gonal tiling (sr{3,6}) arrangement, which leads to the formation of hexa­gonal pores in which potassium cations are located. The latter are linearly connected to iodide anions perpendicular to the layers.

Synthesis and structure of {methyl (Z)-2-[4-(di­meth­ylamino)­benzyl­idene]hydrazine-1-carbodi­thio­ate-κ²N²,S}bis­(tri­phenyl­phosphine-κP)copper(I) nitrate carbon tetra­chloride monosolvate

In the title compound, the carbon tetra­chloride solvent mol­ecule is presumed to have originated as an impurity in the chloro­form solvent used. In the extended structure, the cation and anion are linked by an N—H⋯O hydrogen bond. Along with electrostatic forces, C—H⋯N, C—H⋯S and C—H⋯O hydrogen bonds help to consolidate the crystal packing.

Synthesis and structure of catena-poly[[[bis­(pyridin-2-yl)amine]­cadmium(II)]-di-μ₂-azido]

The title compound, [Cd(N₃)₂(C₁₀H₉N₃)]_n, was prepared solvothermally and characterized crystallographically. In the crystal, adjacent polymeric chains are linked into layers via N—H⋯N hydrogen bonds.

Crystal structure of catena-poly[[tetra­aquamangan­ese(II)]-μ-1,5-dihy­droxynaphthalene-2,6-di­carboxyl­ato]

The Mn^II ions in the title compound are bridged by the H₂dondc²⁻ (H₂dondc²⁻ is 1,5-dihy­droxynaphthalene-2,6-di­carboxyl­ate) ligand to form a one-dimensional chain. The chains are further connected by π–π inter­actions, forming a three-dimensional network.

Synthesis and crystal structure of ethyl 2-(1,3-benzo­thia­zol-2-yl)-1-oxo-1H-pyrido[2,1-b][1,3]benzo­thia­zole-4-carboxyl­ate

Two short intra­molecular S⋯O=C contacts and one intra­molecular ‘weak' C—H⋯O=C hydrogen bond cause most of the mol­ecule to be approximately planar. The main secondary inter­actions are a ‘weak' hydrogen bond, stacked pairs of mol­ecules and a C—H⋯π contact.

Crystal structure and Hirshfeld surface analyses, inter­action energy calculations and energy frameworks of 2-(anthracen-10-yl)-1H-benzo[d]imidazole

The benzimidazole and anthracene moieties in the title compound contains are oriented at a dihedral angle of 46.00 (2)°. In the crystal, N—H⋯N hydrogen bonds link the mol­ecules into infinite chains along the b-axis direction. In addition, C—H⋯π inter­actions contribute to the consolidation of the packing.

ZnPCl₇: a compositionally and structurally unprecedented metal–phospho­rus halide

The reaction of ZnCl₂ with PCl₅ in a 1:1 molar ratio at 623 K produced single crystals of ZnPCl₇, which crystallizes in the ortho­rhom­bic space group Ama2. Its extended structure features isolated [PCl₄]⁺ tetra­hedra and one-dimensional chains of corner-sharing ZnCl₂Cl_2/2 tetra­hedra.

A second monoclinic polymorph of 2,3-di­phenyl­pyrazine

In a second monoclinic polymorph of 2,3-di­phenyl­pyrazine, pairwise C—H⋯N hy­dro­gen bonds link the mol­ecules into centrosymmetric dimers and aromatic π–π stacking inter­actions between the pyrazine rings of adjacent mol­ecules and C—H⋯π inter­actions help to consolidatate the packing.

Synthesis and structure of 2-amino-4-nitro-1H-imidazol-3-ium chloride

Single crystals of 2-amino-4-nitro­imidazole hydro­chloride were synthesized by slow evaporation and characterized by X-ray diffraction. The crystal structure features a planar imidazolium cation and a chloride anion, forming a three-dimensional supra­molecular network via N—H⋯Cl and N—H⋯O hydrogen bonds.

Synthesis and structure of 2,4-bis­(2,6-di­methyl-4H-pyran-4-yl­idene)-3-oxo­penta­nedi­nitrile, an unexpected product of a Knoevenagel condensation reaction

The crysstal structure of an unexpected product of the Knoevenagel condensation between 2,6-dimethyl-γ-pyrone and cyano­acetic acid in the presence of acetic anhydride and piperidine as catalyst is reported and a mechanism for the reaction is proposed.

Crystal structure, Hirshfeld surface and crystal void analysis of (1Z)-1-[(E)-2-(2H-1,3-benzodioxol-5-yl­methyl­idene)hydrazin-1-yl­idene]-1,2-di­hydro­phthalazine

The main supra­molecular motif in the packing of the title com­pound is the formation of N—H⋯N and C—H⋯N hy­dro­gen-bonded chains extending parallel to [001].

Synthesis and structure of (7aRS)-4-chloro-6-(4-methyl­phen­yl)-6,7,7a,8-tetra­hydro-5H-indeno­[5,6-b]furan-5-one, a fused-ring system arising from a new variant of the IMDAV reaction

The asymmetric unit of the title com­pound contains two mol­ecules. In the crystal, C—H⋯O and C—H⋯Cl hy­dro­gen bonds link the mol­ecules into two-dimensional networks, enclosing R₃³(19), R₂²(18) and R₂²(14) ring motifs. C—H⋯π inter­actions help to consolidate the packing.

New polymorph of 2,6-di­methyl­phenol

The monoclinic and ortho­rhom­bic polymorphs of 2,6-di­methyl­phenol are constituted of very similar hy­dro­gen-bonded chains, but the packing of the chains differs significantly.

Crystal structure and Hirshfeld surface analysis, crystal voids, inter­action energy calculations and energy frameworks of C-anthracen-9-yl-N-methyl aldo­nitrone

The title com­pound contains an almost planar anthracene ring system. In the crystal, inter­molecular bifurcated C—H⋯O hy­dro­gen bonds link the mol­ecules into infinite chains along the a-axis direction and π–π stacking inter­actions between the benzene rings of adjacent mol­ecules help to consolidate the three-dimensional architecture.

Crystal structure of 2-oxo-2H-chromen-7-yl tri­fluoro­methane­sulfonate

The title compound, 2-oxo-2H-chromen-7-yl-tri­fluoro­methane­sulfonate, crystallizes as closely associated pairs across an inversion center, these dyads then forming steps in a staircase packing arrangement in the direction of the b axis. Efficient crystal packing is assisted by a dense network of C—H⋯O inter­molecular contacts.

Synthesis and structure of 9-methyl-1,10-di­hydro­pyrazolo­[3,4-a]carbazole

The extended structure of a pyrazolo­[3,4-a]carbazole features {N—H}₂⋯N hy­dro­gen bonds, which generate [010] chains.

Graphical Fourier-coefficient analysis as a paper-based method for teaching structure factors

A one-dimensional graphical Fourier analysis is proposed as a teaching approach to visualize the cosine and sine coefficients of structure factors and to provide a visual illustration of the relationship between atomic arrangement, symmetry and diffraction patterns.