Di­aqua­bis­[3-(4-methyl­phen­yl)-5-(pyridin-2-yl-κN)-1H-1,2,4-triazolato-κN¹]cadmium trihydrate

The Cd^II cation is chelated by two 3-(4-methyl­phen­yl)-5-(pyridin-2-yl)-1H-1,2,4-triazolate anions and coordinated by two water mol­ecules in a distorted N₄O₂ octa­hedral geometry.

cis-Chlorido­bis­(4,4′-di­methyl-2,2′-bi­pyridine)­nitro­sylruthenium(II) bis­(hexa­fluoro­phosphate)

In the title complex, [RuCl(NO)(C₁₂H₁₂N₂)₂](PF₆)₂, the central Ru^II ion is sixfold coordinated by a chloride ion and a nitrosyl ligand, which are cis to one another, and by four N atoms of two 4,4′-dimethyl-2,2′-bi­pyridine ligands, in a slightly distorted octa­hedral fashion.

fac-Bis[bis­(pyridin-2-yl)methanamine]­iron(II) bis­(1,1,3,3-tetra­cyano-2-eth­oxy­propenide) dihydrate

In the title compound, the coordination of the two tridentate ligands bis­(pyridin-2-yl)methanamine to Fe^II results in a strongly distorted octa­hedral [FeN₆] coordination polyhedron, with acute N—Fe—N bite angles in the five-membered metalacycles.

Bis(tetra-n-butyl­ammonium) bis­(5,6-di­cyano­pyrazine-2,3-di­thiol­ato-κ²S,S′)nickelate(II)

The Ni^II atom in the complex anion of the title salt is located on an inversion centre and exhibits a slightly distorted square-planar coordination sphere.

Bis{2-[({[3-(di­methylazaniumyl)propyl]imino}methyl)phenyl]sulfanido}nickel(II) tetra­phenyl­borate

In the title compound, the Ni atom is coordinated by two ligands via the thiol­ate S and the imine N atoms. The amine N atoms are protonated and inter­act with the phenyl rings of the BPh₄ anions.

Bis(lysine-κ²N,O)hexa-μ₂-oxido-hexa­oxidobis(1,10-phenanthroline-κ²N,N′)dicopper(II)tetravanadium(V) tetra­hydrate

The centrosymmetric title complex features the [V₄O₁₂]⁴⁻ polyoxovanadate anion acting as a bridging ligand for two [Cu(lysine)(1,10-phenanthroline)]²⁺ fragments, where the Cu atoms display a distorted square-pyramidal geometry.

[μ-1,4-Bis(di­phenyl­phosphan­yl)butane-κ²P:P′]­bis­{(4-benzyl-2-neo­pentyl-1,2,4-triazol-3-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene]iridium(I)} bis­(tetra­fluoro­borate) di­chloro­methane disolvate

The title mol­ecule lies about an inversion center located at the mid-point of the butane chain of the phosphine ligand. The diphosphine ligand acts as a bridge between the two metal centers. This is the first structural report of a complex where the square-planar iridium centers are bridged by a phosphine ligand, and it is of inter­est with respect to catalysis in transfer hydrogenation reactions.

6-[(R)-(2-Hy­droxy-1-phenyl­eth­yl)amino­methyl­idene]-4-(2-phenyl­diazen-1-yl)cyclohexa-2,4-dien-1-one

The chiral photochromic Schiff base compound shows the keto­amine tautomeric form. The diazenyl group adopts a trans (E) conformation.

(1R,2R,7S,8R,9R)-N-(2-Hy­droxy-2,6,6,9-tetra­methyl-12-oxatri­cyclo[7.2.1.0^1,7]dodecan-8-yl)acetamide

The asymmetric unit of the title compound contains two independent mol­ecules, one of which features an intra­molecular O—H⋯O hydrogen bond. In the crystal, the mol­ecules are linked by N—H⋯O and O—H⋯O hydrogen bonds forming helical chains propagating along the b-axis direction.

6-Bromo­quinoline-8-carbo­nitrile

Face-to-face π–π stacking is the dominant inter­molecular inter­action in the title compound.

7-Bromo-1,4-di­butyl-1,2,3,4-tetra­hydro­pyrido[2,3-b]pyrazine-2,3-dione

In the title compound, the butyl substituents are in extended conformations on opposite sides of the bicyclic core. Offset π-stacking inter­actions between the pyridine ring of one mol­ecule and the pyrazine ring of the next form oblique stacks extending along the b-axis direction. The stacks are reinforced by π–π inter­actions between a carbonyl group and the pyridine ring of the adjacent mol­ecule in the stack. The stacks are associated through a combination of C—H⋯O hydrogen bonds and C—Br⋯π(ring) inter­actions.

3,5-Di­meth­oxy­phenyl 4-methyl­benzene­sulfonate

Aryl tosyl­ates attract considerable attention as electrophiles in transition-metal-catalyzed cross-coupling reactions. In the crystal, mol­ecules are connected by weak inter­molecular hydrogen bonds and van der Waals contacts.

3,5-Bis(tri­fluoro­meth­yl)phenyl 4-methyl­benzene­sulfonate

Transition-metal-catalyzed cross-coupling reactions can be applied to aryl tosyl­ates. In the crystal, mol­ecules are connected by weak C—H⋯O and C—H⋯F contacts.

Bi­phenyl-4-yl 4-methyl­benzene­sulfonate

Aryl tosyl­ates are important substrates in organic synthesis. The crystal structure of the title compound is stabilized by weak C—H⋯O contacts.

5,6-Di­methyl-2-[(5-methyl-1,2-oxazol-3-yl)meth­yl]-1-(prop-2-en-1-yl)-1H-1,3-benzo­diazole

The benzo­diazole moiety is twisted slightly end-to-end. In the crystal, two sets of weak C—H⋯N hydrogen bonds form sheets approximately parallel to (100), which are formed into bilayers by pairwise C—H⋯π(ring) inter­actions between the methyl group on one oxazole moiety with the oxazole ring in a neighbouring mol­ecule.

Methyl 5-methyl­pyrazine-2-carboxyl­ate

The mol­ecular and crystal structure of the title pyrazine­carboxyl­ate derivative is reported. C—H⋯N and C—H⋯O hydrogen bonding is the key component in the crystal packing.

1,4-Di­hexyl-1,2,3,4-tetra­hydro­quinoxaline-2,3-dione

The title compound has crystallographically imposed C₂ symmetry.

2-(4-Chloro­phen­yl)-3-hy­droxy-4H-chromen-4-one

In the crystal structure of 2-(4-chloro­phen­yl)-3-hy­droxy-4H-chromen-4-one, the mol­ecules form hydrogen-bonded inversion dimers, with a classical (10) synthon.

3-Chloro-1-ethyl-6-nitro-1H-indazole

The crystal structure features weak C—H⋯O and π–π stacking inter­actions.

2-Sulfanyl­idene-1,3-di­thiolo[4,5-b]pyrazine-5,6-dicarbo­nitrile

The title 1,3-di­thiolo[4,5-b]pyrazine-5,6-dicarbo­nitrile mol­ecule is essentially planar, with an r.m.s deviation of 0.042 (3) Å from the least-squares plane.

Methyl 2-cyano-2-(1,3-di­thian-2-yl­idene)acetate

In the title 1,3-di­thian-2-yl­idene derivative, the di­thiane ring has a twist-boat conformation.

2-(Eth­oxy­carbono­thio­ylthio)­propanoic acid

The mol­ecular and crystal structure of the thio­carbonyl derivative 2-(eth­oxy­carbono­thio­ylthio)­propanoic acid is reported. The crystal structure is stabilized by O—H⋯O, C—H⋯O and C—H⋯S hydrogen bonds and a short O⋯S contact.

Di­ethyl 4-(3-eth­oxy-4-hy­droxy­phen­yl)-2,6-dimethyl-1,4-di­hydro­pyridine-3,5-di­carboxyl­ate

The 1,4-di­hydro­pyridine ring in the title compound adopts a shallow boat conformation.

3-Acetyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

The pyrido­pyrimidine unit in the title compound is slightly non-planar. In the crystal, mol­ecules stack along the a-axis direction with π–π stacking inter­actions.

1,4-Bis(4-bromo­but­oxy)benzene

The title compound is centrsymmetric with an extended conformation for the side chain.

9-Amino-5,7-di­bromo-1,2,3,4-tetra­hydro­acridine hemihydrate

In the crystal, C—H⋯O, N—H⋯N, N—H⋯O and O—H⋯N hydrogen bonds connect the mol­ecules, forming a two-dimensional network parallel to (010). The parallel layers of these two-dimensional sheets are assembled into a three-dimensional structure through C—H⋯π and π–π stacking inter­actions.

Creatininium phosphite

The title salt, C₄H₈N₃O⁺·H₂PO₃⁻, contains a creatininium cation (2-amino-1-methyl-4-oxo-4,5-di­hydro-1H-imidazol-3-ium) and a phosphite anion. The crystal packing shows planes of hydrogen-bonded ions parallel to the (-114) and (11-4) planes.

3-[2-(5-Oxo-4,4-di­phenyl-2-sulfanylideneimidazolidin-1-yl)eth­yl]-1,3-oxazolidin-2-one

A Cremer–Pople puckering analysis of the oxazolidine ring has been performed. In the crystal, helical chains parallel to [101] are formed by N—H⋯O hydrogen bonds and are connected by C—H⋯O and C—H⋯π(ring) inter­actions, forming a three-dimensional network.

1,5-Di­methyl-3′,5′-di­phenyl-1,5-di­hydro-3′H-spiro­[pyrazolo­[3,4-d]pyrimidine-4,2′-[1,3,4]-thia­diazole]

6-Chloro-1,4-di­ethyl­quinoxaline-2,3(1H,4H)-dione

In the title compound, the terminal C atoms of the ethyl groups deviate from the mean plane of the quinoxaline-2,3(1H,4H)-dione ring in opposite directions. In the crystal, weak C—H⋯O inter­actions link the mol­ecules into [100] chains and aromatic π–π stacking inter­actions are also observed.

(4Z)-4-(2-Oxo­propyl­idene)-2,3,4,5-tetra­hydro-1H-1,5-benzodiazepin-2-one

The mol­ecular and crystal structure of the title benzodiazepin-2-one derivative is reported. The crystal structure features N—H⋯O and C—H⋯O hydrogen bonds.

(E)-2-Phenyl-4-styryl-2,3-di­hydro-1H-1,5-benzodiazepine hemihydrate

The title compound was synthesized in two steps. In the crystal, mol­ecules are linked by C—H⋯N and O—H⋯N hydrogen bonds.

(Pyridin-2-yl)methyl 2-oxo-1-[(pyridin-2-yl)meth­yl]-1,2-di­hydro­quinoline-4-carboxyl­ate hemihydrate

The conformation of the title mol­ecule is partially described by the dihedral angles between the several constituent rings. Pairs of centrosymmetrically related mol­ecules are associated through hydrogen bonding to a disordered lattice water mol­ecule. These units stack along the a-axis direction assisted by C—H⋯O and C—H⋯N hydrogen bonds, as well as C—H⋯π(ring) inter­actions.

6-Bromo-2-(4-meth­oxy­phen­yl)-3-methyl-3H-imidazo[4,5-b]pyridine

The mol­ecular and crystal structure of the title imidazo­pyridine derivative is reported. The crystal structure features C—H⋯N hydrogen bonds and π–π stacking inter­actions.

Prop-2-ynyl 2-oxo-1-(prop-2-yn­yl)-1,2-di­hydro­quinoline-4-carboxyl­ate

The mol­ecular and crystal structure of the title quinolone derivative is reported. The crystal structure is stabilized by C—H⋯O hydrogen bonds and π–π stacking inter­actions.

5-Methyl­pyrazine-2-carboxamide

Hydrogen bonding is the key component in the crystallization of 5-methyl­pyrazine-2-carboxamide.

N-[4-(4-Fluoro­phen­yl)-1,3-thia­zol-2-yl]-3-(4-meth­oxy­phen­yl)-4-methyl­benzamide

Mol­ecules of the title thia­zole derivative are linked via strong N—H⋯O hydrogen bonds forming C(11) chains along [001].

5-Nitro-1-(prop-2-en-1-yl)-1H-indazole

In the crystal, the title mol­ecule forms zigzag chains running parallel to the c axis through weak C—H⋯O hydrogen bonds. The chains pack to form layers approximately parallel to (100) aided by additional weak C—H⋯O hydrogen bonds.