The unanti­cipated oxidation of a tertiary amine in a tetra­cyclic glyoxal-cyclam condensate yielding zinc(II) coordinated to a sterically hindered amine oxide

The crystal structure of the first reported glyoxal–tetra­aza­macrocycle condensate amine oxide is presented. The sterically hindered oxidized amine binds zinc(II) through the oxygen atom in its folded cleft, with an inter­nal hydrogen bond across the cleft between the oxygen and a protonated tertiary nitro­gen.

Synthesis, crystal structure and Hirshfeld surface analysis of N-(6-acetyl-1-nitro­naphthalen-2-yl)acetamide

The title compound, C₁₄H₁₂N₂O₄, obtained from 2-acetyl-6-aminona­phthalene through two-step reactions of acetyl­ation and nitration, is a Prodane fluorescent dye. In the crystal, the mol­ecules are assembled into two-dimensional sheet-like structures by inter­molecular N—H⋯O hydrogen bonding and π–π stacking inter­actions. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from O⋯H/H⋯O (43.7%), H⋯H (31.0%), and C⋯H/H⋯C (8.5%) contacts.

Co^II-catalysed synthesis of N-(4-meth­oxy­phen­yl)-5-(pyridin-4-yl)-1,3,4-oxa­diazol-2-amine hemi­hydro­chloride monohydrate

The Co^II-catalysed synthesis and crystal structure is reported for the title compound, which features a symmetric N⋯H⁺⋯N unit.

Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide

The structures of ten phosphane chalcogenide complexes of gold(III) halides are presented and compared.

Crystal structure of tetra­phenyl phosphate tetra­kis­[di­methyl (2,2,2-tri­chloro­acet­yl)phos­pho­ramidato]lutetium(III), PPh₄[LuL₄]

The crystal structure of the anionic lutetium(III) tetra­kis-CAPh complex (CAPh = carbacyl­amido­phosphate) with tetra­phenyl phosphate as the cation, PPh₄[LuL₄], is presented and discussed.

Crystal structure of (S)-5-(3-acetyl-5-chloro-2-eth­oxy-6-fluoro­phenyl)-2-oxazolidinone

The structure of (S)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone has been determined to establish its absolute configuration in efforts to synthesize an anti­cancer drug candidate, parsaclisib.

Crystal structure and Hirshfeld surface analysis of 6-imino-8-(4-methyl­phen­yl)-1,3,4,6-tetra­hydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbo­nitrile

In the crystal, mol­ecules are linked by N—H⋯N and C–H⋯N hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π inter­actions form layers parallel to the (100) plane. Thus, crystal-structure cohesion is ensured.

Synthesis, crystal structure and Hirshfeld surface analysis of 2-phenyl-3-(prop-2-yn-1-yl­oxy)quin­oxaline

In the title compound, the quinoxaline moiety shows deviations of 0.0288 (7) to −0.0370 (7) Å from the mean plane (r.m.s. deviation of fitted atoms = 0.0223 Å). In the crystal, corrugated layers two mol­ecules thick are formed by C—H⋯N hydrogen bonds and π-stacking inter­actions.

Synthesis, characterization and supra­molecular analysis for (E)-3-(pyridin-4-yl)acrylic acid

In the title compound, the pyridine ring is fused to acrylic acid, forming an almost planar structure with an E-configuration about the double bond. In the crystal, O—H⋯N and C—H⋯O inter­actions together with π–π stacking inter­actions lead to the formation of the three-dimensional structure.

Synthesis and crystal structure of N-phenyl-2-(phenyl­sulfan­yl)acetamide

In the crystal of the title compound, N—H⋯O hydrogen bonds form chains of mol­ecules along the [100] direction. The chains are linked by C—H⋯π inter­actions, forming a three-dimensional network.

Crystal structure of 2,4-di­amino-5-(4-hy­droxy-3-meth­oxy­phen­yl)-8,8-di­methyl-6-oxo-6,7,8,9-tetra­hydro-5H-chromeno[2,3-b]pyridine-3-carbo­nitrile–di­methyl­formamide–water (1/1/1)

The heterocyclic system of the title compound is approximately planar except for the carbon atom of the CMe₂ group; the residues are connected by extensive classical hydrogen bonding.

Lithium and sodium 3-(3,4-di­hydroxy­phen­yl)propenoate hydrate

The Li cation in the crystal structure of the lithium salt LiC₉H₇O₄·H₂O shows a coordination number of four whereas the Na cation in the crystal structure of the sodium salt NaC₉H₇O₄·H₂O shows a coordination number of seven.

Synthesis, crystal structure and Hirshfeld surface analysis of bromido­tetra­kis­[5-(prop-2-en-1-yl­sulf­anyl)-1,3,4-thia­diazol-2-amine-κN³]copper(II) bromide

The mol­ecular and crystal structure of the bromido­tetra­kis­[5-(prop-2-en-1-ylsulfan­yl)-1,3,4-thia­diazol-2-amine-κN³]copper(II) bromide complex was studied and Hirshfeld surfaces and fingerprint plots were generated to investigate the various inter­molecular inter­actions.

Crystal structure and Hirshfeld surface analysis of 4,4′-di­meth­oxy­biphenyl-3,3′,5,5′-tetra­carb­oxy­lic acid dihydrate

The crystal structure is essentially stabilized by O—H⋯O bonds. Here, the carboxyl groups of neighbouring host mol­ecules are connected by cyclic (8) synthons, leading to the formation of a three-dimensional network. The water mol­ecules in turn form helical supra­molecular strands running in the c-axis direction (chain-like water clusters). The second H atom of each water mol­ecule provides a link to a meth­oxy O atom of the host mol­ecule.

Crystal structure and Hirshfeld surface analysis of 8-benzyl-1-[(4-methyl­phen­yl)sulfon­yl]-2,7,8,9-tetra­hydro-1H-3,6:10,13-diep­oxy-1,8-benzodi­aza­cyclo­penta­decine ethanol hemisolvate

In the crystal, mol­ecules are connected by C—H⋯O and O—H⋯O hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π inter­actions also strengthen the mol­ecular packing.

Crystal structure, Hirshfeld surface analysis, calculations of crystal voids, inter­action energy and energy frameworks as well as density functional theory (DFT) calculations of 3-[2-(morpholin-4-yl)eth­yl]-5,5-di­phenyl­imidazolidine-2,4-dione

In the title mol­ecule, the imidazolidine ring slightly deviates from planarity and the morpholine ring exhibits the usual chair conformation. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds form helical chains of mol­ecules extending parallel to the c axis that are connected by C—H⋯π(ring) inter­actions into a tri-periodic network.

Crystal structure and Hirshfeld surface analysis of ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-di­hydro­quinoxalin-1-yl)acetate

The quinoxaline moiety is almost planar and the dihedral angle between the mean planes through the two constituent six-membered rings is 2.1 (2)°. In the crystal, C—H⋯O hydrogen bonds together with slipped π-stacking and C—H⋯π(ring) inter­actions generate chains of mol­ecules extending along the b-axis direction. The chains are connected by additional C—H⋯O hydrogen bonds.

Synthesis and crystal structure of tetra­methyl (E)-4,4′-(ethene-1,2-di­yl)bis­(5-nitro­benzene-1,2-di­carboxyl­ate)

In the crystal structure of the title compound the two phenyl rings are coplanar, whereas the nitro and the two methyl ester groups are rotated out of the ring plane. The mol­ecules are linked by inter­molecular C—H⋯O hydrogen bonding into a tri-periodic network.