Co-crystallization of N′-benzyl­idene­pyridine-4-carbohydrazide and benzoic acid via autoxidation of benzaldehyde

The 1:1 co-crystal N′-[(2-methyl­phen­yl)methyl­idene]pyridine-4-carbohydrazide–benzoic acid (1/1) formed unexpectedly after autoxidation of benzaldehyde during the slow evaporation process of a solution of isoniazid in benzaldehyde. The original intent of the synthesis was to modify isoniazid with benzaldehyde and crystallize the product in order to improve efficacy against Mycobacteria species, but benzoic acid formed spontaneously and co-crystallized with the intended product, N′-benzyl­idene­pyridine-4-carbohydrazide.

Synthesis, crystal structure and Hirshfeld surface analysis of naphthalene-2,3-diyl bis­(3-benz­yloxy)benzoate

In the title compound, C₃₈H₂₈O₆, the dihedral angles between the naphthalene ring system and its pendant benz­yloxy rings A and B are 88.05 (7) and 80.84 (7)°, respectively. The dihedral angles between the A and B rings and their attached phenyl rings are 49.15 (8) and 80.78 (8)°, respectively. In the extended structure, the mol­ecules are linked by weak C—H⋯O and C—H⋯π bonds and π–π stacking inter­actions, which variously generate C(11) chains and (12) loops as part of a three-dimensional network. The Hirshfeld surface [fingerprint contributions = H⋯H (42.3%), C⋯H/H⋯C (40.3%) and O⋯H/H⋯O (15.7%)] and inter­molecular inter­action energies are reported, with dispersion, E_dis at −428.6 kJ mol⁻¹ being the major contributor.

Crystal structures and Hirshfeld surface analyses of N,N-di­methyl­acetamide–1-(di­methyl-λ⁴-aza­nyl­idene)ethan-1-ol tribromide (1/1), N,N-di­methyl­acetamide–1-(di­methyl-λ⁴-aza­nyl­idene)ethan-1-ol di­bromido­iodate (1/1) and N,N-di­methyl­acetamide–1-(di­methyl-λ⁴-aza­nyl­idene)ethan-1-ol di­chlorido­iodate (1/1)

In all three title crystals, the cations are linked by O—H⋯O and/or C—H⋯O hydrogen bonds. The three-dimensional packing is further consolidated by strong halogen–hydrogen and weak van der Waals inter­actions.

Synthesis and crystal structure of a bench-stable pyridinium ketene hemiaminal: 1-(1-eth­oxy­ethen­yl)-2-[meth­yl(phen­yl)amino]­pyridin-1-ium tri­fluoro­methane­sulfonate

The N-quaternized ketene N,O-acetal, 1-(1-eth­oxy­vin­yl)-2-(meth­yl(phen­yl)amino)­pyridin-1-ium tri­fluoro­methane­sulfonate was synthesized and its structure determined, making it a rare example of this class of compounds to be structurally characterized.

(NH₄)₂[UO₂Cl₄]·2H₂O, a new uranyl tetra­chloride with ammonium charge-balancing cations

While several actinyl tetra­halides have been synthesized and their structures reported, (NH₄)₂(UO₂Cl₄)·2H₂O represents a new uranyl tetra­chloride salt synthesized in a slow evaporation from a 2 M hydro­chloric acid solution. Its optical properties were measured by diffuse reflectance and luminescence spectroscopies, while powder X-ray diffraction confirmed an ammonium chloride impurity phase.

Synthesis and crystal structures of three Schiff bases derived from 3-formyl­acetyl­acetone and benzyl-, tert-butyl- and (S)-methyl­benzyl­amine

The crystal structures of three Schiff bases synthesized from 3-formyl­aceylacetone and different primary amines were determined and compared with simulated gas phase structures based on DFT calculations.

Crystal structure of bis­{S-octyl-3-[(thio­phen-2-yl)methyl­idene]di­thio­carbazato-κ²N³,S}nickel(II)

The mononuclear nickel(II) complex is bis-chelated by di­thio­carbazato ligands bearing a thienyl ring and an n-octyl alkyl chain.

Crystal structure of K₆[Zn(CO₃)₄]

The crystal structure of the title compound comprises a tetra­carbonatozincate(II) anion, [Zn(CO₃)₄]⁶⁻, with point-group symmetry 2 where the Zn^II atom is surrounded in a distorted tetra­hedral manner by four monodentate carbonate groups.

Crystal structure and luminescence spectrum of a one-dimensional nickel(II) coordination polymer incorporating 1,4-bis­[(2-methyl­imidazol-1-yl)meth­yl]benzene and adamantane-1,3-di­carboxyl­ate co-ligands

The title one-dimensional coordination polymer features alternating 26- and 16-membered rings.

Crystal structure of poly[(aceto­nitrile-κN)(μ₃-7-{[bis­(pyridin-2-ylmeth­yl)amino]­meth­yl}-8-hy­droxy­quinoline-5-sulfonato-κ⁴N,O:O′:O′′)sodium]

In the title compound, the Na^I atom has a distorted square-pyramidal coordination environment. The mol­ecular structure exhibits an intra­molecular bifurcated O—H⋯[N(tertiary amine), N(pyrid­yl)] hydrogen bond. In the crystal, the mol­ecules are linked by the bridging Na—O(sulfonato) coordination bonds and the inter­molecular C—H⋯O hydrogen bonds, forming a three-dimensional network structure.

Crystal structures of four organic salts of trihexyphenidyl at 90 K

The low-temperature crystal structures of four organic salts of the anti-spasmodic drug trihexyphenidyl are presented.

Crystal structure and Hirshfeld surface analysis of (E)-1-(2,4-di­methyl­furan-3-yl)-3-phenyl­prop-2-en-1-one

In the crystal, pairs of mol­ecules are linked by C—H⋯O hydrogen bonds, forming dimers with (14) ring motifs. Mol­ecules are connected via C—H⋯π inter­actions forming a three-dimensional network.

Crystal-structure determination and Hirshfeld surface analysis of two new thio­phene derivatives: (E)-N-{2-[2-(benzo[b]thio­phen-2-yl)ethen­yl]-5-fluoro­phen­yl}benzene­sulfonamide and (E)-N-{2-[2-(benzo[b]thio­phen-2-yl)ethen­yl]-5-fluoro­phen­yl}-N-(but-2-yn-1-yl)benzene­sulfonamide

The crystal structures of two benzo­thio­phene derivatives are described and the inter­molecular contacts in the crystals analysed using Hirshfeld surface analysis and two-dimensional fingerprint plots.

Crystal structure and Hirshfeld surface analysis of 4-cyano-N-[(4-cyano­phen­yl)sulfon­yl]-N-[2-(5-methyl­furan-2-yl)phen­yl]benzene­sulfonamide

The crystal structure features C—H⋯O and C—H⋯N hydrogen bonds, which link the mol­ecules into layers parallel to the (100) plane. IC—H⋯π inter­actions and weak van der Waals inter­actions occur between the layers.

N-Cyclo­hexyl­tryptamine: freebase, bromide and fumarate

The crystal structure of the freebase of the monoalkyl tryptamine N-cyclo­hexyl­tryptamine is presented, along with those of its bromide and fumarate salts.

Synthesis, optical properties and crystal structure of (E,E)-1,3-(3,4:9,10-dibenzododeca-1,11-diene-5,7-diyne-1,12-di­yl)benzene

A de­hydro­benzannulene, (E,E)-1,3-(3,4:9,10-dibenzododeca-1,11-diene-5,7-diyne-1,12-di­yl)benzene, was stereoselectively synthesized, and its crystal structure and UV-Vis absorption and photoluminescence optical properties were determined.

Synthesis and crystal structures of (E)-N′-(4-chloro-3-nitro­benzyl­idene)acetohydrazide and (E)-2-(4-chloro­benzyl­idene)-1-(quinolin-8-yl)hydrazine

Two benzyl­idenehydrazinederivatives have been synthesized and structurally characterized.