Ca₂CuO₂Cl₂, a redetermination from single-crystal X-ray diffraction data

Ca₂CuO₂Cl₂ is the undoped parent compound of a high-temperature superconducting cuprate. Its crystal structure was re-refined from single-crystal X-ray diffraction data.

μ₂-Chlorido-chlorido­(μ₂-4-{[2-(di­ethyl­amino)­eth­yl]imino}­pent-2-en-2-olato)bis­(tetra­hydro­furan-κO)cobalt(II)lithium

In the heterometallic binuclear title complex, the Li⁺ cation has a distorted tetra­hedral environment while the Co²⁺ cation exhibits a distorted trigonal–bipyramidal coordination sphere.

trans-Bis(2,2′-bi­pyridine-4,4′-di­carb­oxy­lic acid-κ²N,N′)di­chlorido­ruthenium(III) perchlorate

A novel ruthenium(III) cation complex with 2,2′-bi­pyridine-4,4′-di­carb­oxy­lic acid ligand (dcbpy) in a trans conformation is reported, as one of few examples of crystal structures of trans-ruthenium(III) complexes comprising bi­pyridine and a monodentate halogenido group as ligands.

catena-Poly[[[bis­(glycolato-κ²O,O′)copper(II)]-μ-4,4′-bi­pyridine-κ²N:N′] ethane-1,2-diol mono­solvate]

In the title coordination polymer, the Cu^II metal cation is six-coordinated in a slightly distorted octa­hedral manner by two N atoms from two different bridging 4,4′-bi­pyridine (4,4′-bipy) ligands and four O atoms from two individual glycolate anions. The 4,4′-bipy ligand bridges adjacent Cu^II centres, generating one-dimensional linear chains running along the [10] direction. In the crystal structure, adjacent chains are further connected by O—H⋯O classical hydrogen bonds, resulting in a two-dimensional supermolecular network structure parallel to (100).

1-Methyl-4-thio­carbamoylpyridin-1-ium iodide

The crystal structure of the title salt features N—H⋯I hydrogen bonds between the NH₂ group of the thio­amide cation and the iodide anion.

The rel-R,R-enanti­omer of 7-[7-hydroxybi­cyclo[4.2.0]octa-1(6),2,4-trien-7-yl]bi­cyclo­[4.2.0]octa-1(6),2,4-trien-7-ol

The mol­ecular structure is characterized by nearly planar cyclo­butene rings and a torsion angle of the diol unit of 68.3 (2)°. Strands parallel to the b axis are built from diols connected via hydrogen bonds.

2-Amino-5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one

The asymmetric unit of the title mol­ecule consists of two independent mol­ecules with almost identical conformations.

Di­thio­bis­(formamidinium) bis­(hydrogen sulfate)

The asymmetric unit of the title salt, C₂H₈N₄S₂²⁺·2HSO₄⁻, contains one di­thio­bis­(formamidinium) cation and two hydrogensulfate anions. The crystal packing is stabilized by N—H⋯O and O—H⋯O hydrogen bonds, forming a three-dimensional network.

1,1-Di­phenyl-4-(thio­phen-2-yl)but-3-yn-1-ol

The crystal structure of a tris­ubstituted homopropargylic alcohol bearing a 3-(2-thio­phen­yl)propargylic group is reported.

Homopropargyl alcohol 5,5-di­phenyl­pent-2-yne-1,5-diol

In the mol­ecule of the title compound, C₁₇H₁₆O₂, the central carbon atom has a distorted tetra­hedral geometry to a homopropargylic 2-butyn-1-ol moiety, a hy­droxy group and two phenyl substituents.

Homopropargyl alcohol 1,1-di­phenyl­but-3-yn-1-ol

The crystal structure of a functionalized homopropargylic alcohol is reported.

N,1-Bis(4-eth­oxy­phen­yl)-2,6-di­methyl-4-oxo-1,4-di­hydro­pyridine-3-carboxamide

Condensation of ethyl aceto­acetate and phenetidine gives the title compound in which the planar eth­oxy­phenyl group attached to the pyridine ring is twisted about 77.96 (11)° out of the plane of the N-eth­oxy­carboxamido­pyridine unit.

3-Hy­droxy-3-methyl­isochroman-1-one–2-(carb­oxy­meth­yl)benzoic acid (1/1)

The structure of a 1:1 co-crystal of 3-hy­droxy-3-methyl-isochroman-1-one and 2-carb­oxy­methyl-benzoic acid is reported. In this structure, C—H⋯O and O—H⋯O hydrogen bonds together with C=O⋯π(ring) and C—H⋯π(ring) inter­actions stabilize the structure.

Spiro­[cyclo­pentane-1,11′-hexa­cyclo[7.6.0.0^1,6.0^6,13.0^8,12.0^10,14]penta­deca­ne]-7′,15′-dione

An unusual rearrangement of spiro cage dione to tris­homocubane derivatives is reported by acid-catalysed rearrangement with the aid of BF₃·OEt₂ in benzene (solvent) reflux conditions. Here, the mol­ecular structure of cage mol­ecule C₁₉H₂₂O₂ (major product) consists of five-membered rings, which adopt an envelope conformation and six-membered rings adopt a chair or boat conformation.

Methyl 3-(4-hy­droxy­phen­yl)propionate

The crystal structure exhibits significant hydrogen bonding between the O—H group of one mol­ecule and the CO group of an adjacent one. These O—H⋯O=C inter­actions form chains of mol­ecules parallel to the b axis.

1-(3-Hy­droxy­prop­yl)-3-phenyl­quinoxalin-2(1H)-one

The quinoxaline portion is slightly folded across the N⋯N axis. In the crystal, O—H⋯O and C—H⋯O hydrogen bonds, together with C—H⋯π(ring) inter­actions form ribbons extending along the c-axis direction. The ribbons are connected into a `stairstep' motif rising along the a-axis direction by additional C—H⋯π(ring) inter­actions

Polymorph of (E)-N′-(4-chloro­benzyl­idene)isonicotinohydrazide monohydrate

The title hydrate is the ortho­rhom­bic polymorph of the previously reported monoclinic compound. In the title compound, the dihedral angle between the pyridine and benzene rings is 18.0 (2)°. The mol­ecule has an E conformation with respect to the C=N bond of the hydrazone bridge. In the crystal, the Schiff base mol­ecules and water mol­ecules are linked via O—H⋯O, N—H⋯O and O—H⋯N hydrogen bonds, forming a two-dimensional network parallel to (001).

3,4,6-Tri­methyl-1-phenyl-5-(thio­phen-3-yl)-1H-pyrazolo­[3,4-b]pyridine

The mol­ecular and crystal structure of a pyrazolo­[3,4-b]pyridine derivative is reported. The crystal structure is stabilized by C—H⋯π(ring) inter­actions.