Potassium tetra­cyanidoaurate(III) monohydrate: a redetermination

A redetermination of the crystal structure of potassium tetra­cyanidoaurate(III) monohydrate has been performed with single-crystal X-ray diffraction data at 173 K to improve the previous model obtained from neutron diffraction data.

[N-(2-Anilinoeth­yl)-N′-(tri­methyl­sil­yl)benzene­carboximidamidato-κ³N,N′,N′′](benzo­nitrile-κN)tri­chlorido­zirconium(IV)

In the crystal, mol­ecules are connected by N—H⋯Cl hydrogen bond, forming ribbons along [110].

Poly[di­aqua­(μ₃-2,3-dioxoindoline-5-sulfonato)­sodium]

In the solid state, sodium 2,3-dioxo­indole-5-sulfonate dihydrate forms a one-dimensional coordination polymer, further linked into a three-dimensional network through N—H⋯O, C—H⋯O, O—H⋯O and π–π inter­actions.

Bromido­carbon­yl{(1S,2S)-N-[2-(di­cyclo­hexyl­phosphan­yl)ethyl­iden­yl]-N′-[2-(di­phenyl­phosphan­yl)eth­yl]-1,2-di­phenyl­ethane-1,2-di­amine}­iron(II) tetra­phenyl­borate

In trans-(S,S)-[FeBr(CO)(PPh₂CH₂CH₂NHCHPhCHPhNCHCH₂PCy₂)]BPh₄, the Fe^II ion is in a distorted octa­hedral complex geometry with a cis-β ligand geometry in which two diastereomers co-crystallized in the asymmetric unit. These diastereomers differ by the orientation of the N—H moieties on the ligand; one is in the S conformation, and the other R.

Crystal structure of 3-[({[bis­(2-cyano­eth­yl)carbamo­thio­yl]disulfan­yl}methane­thio­yl)(2-cyano­eth­yl) amino]­propane­nitrile

In the title cyano derivative, mol­ecules are linked via weak C—H⋯N hydrogen bonds, forming C(5) chains along [010].

5,6-Di­bromo-1H-indole-2,3-dione

In the crystal of the title compound, mol­ecules are linked by N—H⋯O, C—H⋯O and C—H⋯Br hydrogen bonds and Br⋯O inter­actions, forming sheets parallel to the (13) plane.

3,5-Di­chloro-N-(4-methyl­phen­yl)benzene­sulfonamide

The mol­ecule of the title sulfonamide compound is U-shaped, with the dihedral angle between the benzene rings being 57.0 (2)°. In the crystal, mol­ecules are linked via N—H⋯O and C—H⋯O hydrogen bonds, forming chains propagating along [100].

3,5-Di­chloro-N-(2,4-di­chloro­phen­yl)benzene­sulfonamide

The mol­ecular and crystal structure of the title sulfonamide derivative is reported. Crystal packing is stabilized by classical and non-classical hydrogen bonds, a halogen bond and π–π contacts.

(E)-1,1′-(Diazene-1,2-di­yl)bis­(cyclo­hexane-1-carbo­nitrile)

The whole mol­ecule of the title compound, a radical initiator known as VAZO-88, is generated by inversion symmetry. The mid-point of the N=N bond is situated on the inversion centre.

6-Chloro-3-(2,2-di­bromo­acet­yl)-2H-chromen-2-one

In the crystal, inversion dimers linked by pairs of double-acceptor (C—H)₂⋯O hydrogen bonds are seen. Further C—H⋯O inter­actions link the dimers into (010) sheets.

1-(7-Iso­propyl-2,5-di­methyl-8-nitro­naphthalen-1-yl)ethanone

The title naphthalene derivative was synthesized in three steps from a mixture of α-, β- and γ-himachalene, which was isolated from an essential oil of the Atlas cedar (Cedrus atlantica).

[3,4-Bis(2,3-di­chloro­phen­yl)cyclo­butane-1,2-di­yl]bis­(furan-2-yl­methanone) monohydrate

The mol­ecular and crystal structure of the title cyclo­butane derivative is reported. The crystal structure features C—H⋯O and C—H⋯Cl hydrogen bonds.

4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxa­diazol-2-yl)meth­yl]pyridazin-3(2H)-one

The mol­ecule of the title pyridazin-3-one derivative of 1,3,4-oxa­diazole is considerably twisted. While the phenyl and the oxa­diazole rings are almost coplanar, subtending a dihedral angle of 4.34 (19)°, they lie almost normal to the pyridazine ring, making dihedral angles of 87.35 (16) and 89.06 (15)°, respectively.

3-Benzoyl-7-meth­oxy-2H-chromen-2-one

In the title compound, the dihedral angle between the coumarin ring system and the phenyl ring is 55.96 (8)°. In the crystal, weak C—H⋯O inter­actions connect the mol­ecules into a three-dimensional network and aromatic π–π stacking inter­actions are also observed.

(E)-1-(3-Bromo­phen­yl)-3-(3-fluoro­phen­yl)prop-2-en-1-one

The mol­ecular and crystal structure of the title chalcone derivative is reported. The olefinic double bond adopts an E configuration.

7-Methyl-1H-indole-2,3-dione

Mol­ecules of 7-methyl­isatin dimerize in the solid state through N—H⋯O hydrogen bonds. π–π inter­actions further link these mol­ecules along the b axis.

3-(4-Chloro­but­yl)-3H-indole-5-carbo­nitrile

Stacking and weak inter­molecular inter­actions generate a supra­molecular sheet.

4,6-Di-tert-butyl-2-{(E)-[4-(di­methyl­amino)­phenyl­imino]­meth­yl}­phenol

The mol­ecular structure of the title compound is stabilized by a weak intra­molecular O—H⋯N hydrogen bond.

Methyl 4-methyl-2-oxo-3,4-di­hydro­dibenzo[b,d]furan-4a(2H)-carboxyl­ate

The title compound as structural similarities to the alkaloid galanthamine, used in the treatment of Alzheimer's disease. The structure consists of a fused three-ring system comprising benzene and cyclo­hexenone fused to a central furan ring. The crystal structure features weak inter­molecular C—H⋯O inter­actions.

A pyridyl-substituted cyclo­disilazane [(Apy)₂(μ-SiMe)₂] (ApyH₂ = 2-amino­pyridine)

The title compound lies about an inversion center. The four-membered Si₂N₂ core is planar, with the two pyridyl rings placed centrosymetrically on either side of the Si₂N₂ plane. The pyridyl and Si₂N₂ rings are almost coplanar.

1-{[3-(Thio­phen-2-yl)-4,5-di­hydro-1,2-oxazol-5-yl]methyl}-2,3-di­hydro-1H-indole-2,3-dione

In the title compound, the indoline and thio­phene moieties are only 2.01 (2)° from coplanarity. The isoxazole ring adopts an envelope conformation, with the methine C atom as the flap, and its mean plane is inclined to the thio­phene and indoline ring mean planes by 19.78 (14) and 20.83 (12)°, respectively.

2-Amino-3-methyl­pyridinium hydrogen phthalate

The cation is protonated at the pyridine N atom and the anion is deprotonated at one of the hy­droxy O atoms. The crystal structure is stabilized by inter-ionic N—H⋯O hydrogen bonds and π–π inter­actions between the anions.

7-Acetyl-8-(4-chloro­phen­yl)-3-ethyl­sulfanyl-6-hy­droxy-1,6-di­methyl-5,6,7,8-tetra­hydro­iso­quinoline-4-carbo­nitrile

The mol­ecular and crystal structure of the title iso­quinoline derivative is reported. A combination of O—H⋯O, C—H⋯O and C—H⋯N hydrogen bonds form zigzag chains along the c-axis direction.

(1S,3R,8R)-2,2-Di­chloro-3,7,7,10-tetra­methyl-11-methyl­enetri­cyclo­[6.4.0.0^1,3]dodec-9-ene

In the title compound, the mol­ecule is built from fused six- and seven-membered rings and an additional three-membered ring

Ethyl 2-(4-meth­oxy­phen­yl)-1-methyl-1H-benzimidazole-5-carboxyl­ate

In the title compound, the pendant ethyl chain has an extended conformation and the meth­oxy­phenyl ring is twisted by 28.81 (5)° with respect to the benzimidazole ring system at a dihedral angle of 28.81 (5)°. In the crystal, mol­ecules are linked by weak C—H⋯π and π–π stacking inter­actions.

3,4-Di­hydro-2H-benzo[4,5]imidazo[2,1-b][1,3]thia­zin-3-ol

The title compound is an important pharmacophore mol­ecule exhibiting a number of biological activities. The fused three-ring system is planar apart from the hy­droxy-substituted C atom that deviates from the mean plane through the other 12 atoms by 0.737 (1) Å.

(3S)-3,8-Di­bromo-4-phenyl-2,3-di­hydro-1H-1,5-benzodi­aza­pin-2-one

In the title compound, the seven-membered ring adopts a boat conformation with the Br substituent in an axial position. In the crystal, the mol­ecules form centrosymmetric dimers via pairs of N—H⋯O hydrogen bonds.

tert-Butyl (2S,3R,4R)-7′-bromo-4-methyl-2′,5-dioxo-4,5-di­hydro-3H-spiro­[furan-2,3′-indoline]-3-carboxyl­ate

In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds into supra­molecular chains propagating along the a-axis direction.

cis-[3-(2-Chloro-6-methyl­quinolin-3-yl)oxiran-2-yl](p-tol­yl)methanone

The synthesis and crystal structure of cis-[3-(2-chloro-6-methyl­quinolin-3-yl)oxiran-2-yl](p-tol­yl)methanone are reported. The mol­ecule crystallizes with Z = 2 in space group P. In the crystal, weak C—H⋯O and C—H⋯Cl inter­actions link the mol­ecules into [100] chains.

Ethyl 2-(6-nitro-1H-indazol-1-yl)acetate

The asymmetric unit of the title compound comprises two independent mol­ecules. The packing features N—O⋯π inter­actions.

Hydrogen-bonding patterns in bis­(cytosinium) tartarate monohydrate

The asymmetric unit of the title cystosinium salt derivative contains two cytosinium cations, one tartaric acid anion and a water mol­ecule. The crystal structure features C—H⋯O, N—H⋯O and O—H⋯O inter­actions. Further C—H⋯π and π–π inter­actions are observed along the ab plane, contributing to the crystal stability.

1,4,9,12-Tetra­meth­oxy-14-octyl-5,8-di­hydro­diindolo[3,2-b;2′,3′-h]carbazole with an unknown solvent

The title compound, 2C₃₆H₃₉N₃O₄·H₂O, is a linear π-conjugated ladder oligomer with an alkyl chain on the central nitro­gen atom. This diindolocarbazole, prepared via twofold Cadogan reaction, adopts a sligthly convex shape, anti to the disordered octyl group. The unit cell contains nine mol­ecules of the title compound and half a water mol­ecule per main mol­ecule. The water mol­ecule forms hydrogen bridges, connecting the carbazole-NH and meth­oxy groups of different mol­ecules.

9-(1H-Benzo[d]imidazol-2-yl)-2,3,6,7-tetra­hydro-1H,5H-pyrido[3,2,1-ij]quinoline

In the title a 2-heteroaryl benzimidazole derivative, the benzimidazole and julolidine moieties form a dihedral angle of 40.9 (1)°. Inter­molecular N—H⋯N hydrogen bonds link the imidazole rings in the crystal, forming chains along the c-axis direction.

5,7-Di­methyl-1H-indole-2,3-dione

5,7-Di­methyl­isatin crystallizes with four mol­ecules in the asymmetric unit: these mol­ecules dimerize through pairs of N—H⋯O hydrogen bonds.

2-[5-(Pyridin-2-yl)-1,3,4-thia­diazol-2-yl]pyridin-1-ium perchlorate

The cation of the title mol­ecular salt is almost planar, with the pyridine and pyridinium rings being inclined to the central thia­diazole ring by 6.51 (9) and 9.13 (9)°, respectively.

(3R,5S,7R,8R,9S,10S,12S,13R,14S)-10,13-Di­methyl-17-[5-oxo-5-(prop-2-yn-1-yl­oxy)pentan-2-yl]hexa­deca­hydro-1H-cyclo­penta[a]phenanthrene-3,7,12-triyl tri­acetate

In the title compound, all the acetyl residues are twisted with respect to the rings (A, B and C) to which they are attached. The dihedral angle between the mean planes of rings C and D is 4.70 (11)°. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming a three-dimensional structure.