Bis(2,2′:6′,2′′-terpyridine-κ³N,N′,N′′)nickel(II) bis­(perchlorate) hemihydrate

In the title compound, the Ni²⁺ cation is coordinated by two terpyridine ligands with a slightly distorted NiN6 coordination polyhedron. It crystallizes as a hemihydrate with two perchlorate anions to compensate the charges.

Di­chlorido­[2-(pyridin-2-yl-κN)benzo[b][1,5]naphthyridine-κN¹]zinc

The Zn^II atom in the title compound has a τ₄ index of 0.85, indicative of a distorted tetra­hedral coordination environment, defined by two N atoms of the heterocyclic ligand and two Cl atoms.

Di-μ-bromido-bis­[bromido­(4,4′-dihy­droxy-2,2′-bi­pyridine-κ²N,N′)copper(II)]

The crystal structure of the dinuclear compound di-μ-bromido-bis­[bromido­(4,4′-dihy­droxy-2,2′-bi­pyridine-κ²N,N′)copper(II)] consists of five-coordinate Cu^II atoms in square-pyramidal Br₃N₂ environments. The dimer exhibits π–π stacking inter­actions and hydrogen bonding between the hy­droxy group and the terminal halogen atoms of adjacent mol­ecules.

Poly[bis­[μ-4-(4-carb­oxy­phen­oxy)benzoato](μ-4,4′-oxydibenzoato)bis­[μ-3-(pyridin-4-yl)-5-(pyridin-3-yl)-1H-1,2,4-triazole]dicadmium(II)]

Three kinds of bridging ligands, 4,4′-oxydibenzoate, 4-(4-carb­oxy­phen­oxy)benzoate and 3-(pyridin-4-yl)-5-(pyridin-3-yl)-1H-1,2,4-triazole, link the Cd^II cations to form the title polymeric complex, [Cd₂(C₁₄H₈O₅)(C₁₄H₉O₅)₂(C₁₂H₉N₅)₂]_n, in which each Cd^II cation is in a distorted N₂O₅ penta­gonal–bipyramidal coordination geometry. The 4,4′-oxydibenzoate dianion has 2 symmetry, with the central O atom located on a twofold rotation axis.

Poly[[tetra­methano­lbis[4-oxo-3-(pyridin-4-yl)-1-(2,4,6-tri­chloro­phen­yl)-4,5-di­hydro-1H-pyrazolo[3,4-d]pyrimidin-6-olato]disodium]–di­ethyl ether–methanol (1/1/2)]

In the compound [Na₂(C₁₆H₇Cl₃N₅O₂)₂(CH₄O)₄]·C₄H₁₀O·2CH₄O, the central pyrazolo­[3,4-d]pyrimidine system makes dihedral angles of 82.98 (7)° with the tri­chloro­phenyl ring and 13.11 (15)° with the pyridine ring. The sodium ion has an octa­hedral environment, coordinated by four methanol mol­ecules and two pyridine rings.

Bis[S-hexyl 3-(thio­phen-2-yl­methyl­idene)di­thio­carbazato-κ²N³,S]palladium(II)

In the title bis-chelated palladium complex, the metal exhibits a square-planar coordination geometry with the N,S-chelating ligands arranged in a trans configuration.

Di­aqua­bis­[N,N′-(ethane-1,2-di­yl)bis­(isonico­tin­amide)-κN]bis­(hydrogen phthalato-κO)nickel(II) hexa­hydrate

A solvated nickel hydrogen phthalate (Hpht) coordination complex with N,N′-(ethane-1,2-di­yl)bis­(isonicotinamide) (ebin) co-ligands, {[Ni(Hpht)₂(ebin)₂(H₂O)₂]^.6H₂O}, was isolated and structurally characterized. Supra­molecular layers form via O—H⋯O and O—H⋯N hydrogen bonding.

3,4-Di­meth­oxy­benzaldehyde

3,4-Di­meth­oxy­benzaldehyde (C₉H₁₀O₃) is almost planar. The crystal contains no hydrogen bonds.

2-[4-(4-Meth­oxy­phen­yl)-1,3-thia­zol-2-yl]-2,3-di­hydro-1H-iso­indole-1,3-dione

In the title iso­indole, the meth­oxy­phenyl ring is oriented at an angle of 9.5 (1)° with respect to the thia­zole ring. In the crystal, mol­ecules are linked via C—H⋯O inter­actions, forming C(7) chains along [010].

2-(4,6-Di­methyl-1-benzo­furan-3-yl)acetic acid

Carb­oxy­lic acid inversion dimers occur in the crystal of 2-(4,6-dimethyl-1-benzo­furan-3-yl)acetic acid.

Ethyl 2-[(5Z)-5-(4-meth­oxy­benzyl­idene)-2,4-dioxo-1,3-thia­zolidin-3-yl]acetate

In ethyl 2-[(5Z)-5-(4-meth­oxy­benzyl­idene)-2,4-dioxo-1,3-thia­zolidin-3-yl]acetate, the dihedral angle between the benzene and heterocyclic rings is 1.49 (6)°.

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

Indazolyl derivatives are heterocyclic compounds with important pharmacological activities. Ethyl 2-(6-nitro-2H-indazol-2-yl)acetate is a new derivative.

2-(3-Benzoyl­thio­ureido)-3-phenyl­propanoic acid

The crystal structure of 2-(3-benzoyl­thio­ureido)-3-phenyl­propanoic acid features inversion-related pairs of O—H⋯O and N—H⋯S hydrogen bonds, which together generate [20] chains.

Ethyl 1-benzyl-2-(3-chloro­phen­yl)-1H-benzimidazole-5-carboxyl­ate

In the crystal of ethyl 1-benzyl-2-(3-chloro­phen­yl)-1H-benzimidazole-5-carboxyl­ate, inversion dimers linked by pairs of C—H⋯O inter­actions generate (22) loops.

2-Methyl­pyridinium 2-carb­oxy-6-nitro­benzoate

In the cation of the salt 2-methyl­pyridinium 2-carb­oxy-6-nitro­benzoate, the pyridine ring is protonated at the N atom and the anion is deprotonated at one of the hy­droxy O atoms. The crystal structure is stabilized by N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds, and also by a π–π inter­action.

2-Amino-4-methyl­pyridinium 2-(3-methyl­phen­yl)acetate

In the 2-amino-4-methyl­pyridinium cation, the pyridine ring is protonated at the N atom and the 2-(3-methyl­phen­yl)acetate anion is deprotonated at the hy­droxy O atom. The mol­ecular structure is stabilized by N—H⋯O hydrogen bonds and the crystal structure features N—H⋯O, C—H⋯O, C—H⋯π and π–π inter­actions.

11β-Hy­droxy­medroxyprogesterone

The title compound is a fungal-transformed metabolite of medroxyprogesterone comprised of one cyclo­hexa­none ring, two cyclo­hexane rings and one cyclo­pentane ring fused together. The cyclo­hexa­none ring has a half-chair conformation, while the cyclo­hexane rings possess chair conformations and the cyclo­pentane ring adopts an envelope conformation.

1H-Benzo[d]imidazol-3-ium (Z)-3-carboxyprop-2-enoate

The title salt consists of a 1H-benzo[d]imidazol-3-ium cation and a (Z)-carboxyprop-2-enoate anion. The crystal structure features N—H⋯O and C—H⋯O hydrogen bonds.

(E)-1-(4-Hy­droxy­benzyl­idene)-4-methyl­thio­semi­carbazide

(E)-1-(4-Hy­droxy­benzyl­idene)-4-methyl­thio­semicarbazide is derived from methyl­thio­semicarbazide and hy­droxy­benzyl­idene fragments with a trans configuration at the C=N bond. The structure is stabilized by inter­molecular N—H⋯S, N—H⋯O and O—H⋯S hydrogen bonds that form two-dimensional chains along the a and b axes.

4-[2-(1,3-Dioxoisoindolin-2-yl)-1,3-thia­zol-4-yl]benzo­nitrile

The title iso­indole crystallizes with two independent mol­ecules (A and B) in the asymmetric unit whose geometrical features are similar. In the crystal, A mol­ecules are linked via C—H⋯N hydrogen bonds which form chains along the c axis. C—H⋯O inter­actions link B mol­ecules into dimers.

1-Allyl-5-(2,5-di­methyl-1H-pyrrol-1-yl)-1H-indazole

In the title compound, a new indazole derivative, the indazole ring system makes a dihedral angle of 64.73 (12)° with the pyrrole ring. In the crystal, mol­ecules are linked by C—H⋯π inter­actions, forming undulating sheets parallel to the ab plane.

5,7,12,14-Tetra­hydro-5,14:7,12-bis­([1,2]benzeno)­penta­cene-6,13-diol di­methyl­formamide disolvate

5,7,12,14-Tetra­hydro-5,14:7,12-bis­([1,2]benzeno)­penta­cene-6,13-diol, C₃₄H₂₂O₂, used in the synthesis of polymers of intrinsic microporosity (PIM) membranes, recrystallizes from DMF, as a DMF solvate.

Ethyl 2-(4-cyano­phen­yl)-1-(4-fluoro­benz­yl)-1H-benzo[d]imidazole-5-carboxyl­ate

The title imidazole derivative is T-shaped, with the 4-cyano­benzene and 4-fluoro­benzyl rings inclined to the imidazole ring system by 32.93 (11) and 83.7 (1)°, respectively.

2-Amino-1-methyl-4-oxo-4,5-di­hydro-1H-imidazol-3-ium 4-methyl­benzene­sulfonate

In the title mol­ecular salt, the cation is protonated at the N atom of the imidazole ring and the anion is deprotonated at the hy­droxy O atom. In the crystal, the anion and cation are liked via two N—H⋯O hydrogen bonds, forming an (8) ring motif.

2-[(5-Amino-1,3,4-thia­diazol-2-yl)sulfan­yl]-N-(4-chloro­phen­yl)acetamide

The mol­ecular and crystal structure of 2-[(5-amino-1,3,4-thia­diazol-2-yl)sulfan­yl]-N-(4-chloro­phen­yl)acetamide is reported. The crystal structure is stabilized through inter­molecular N—H⋯N and N—H⋯O hydrogen bonds.

2-[(5-Amino-1,3,4-thia­diazol-2-yl)sulfan­yl]-N-(2,4,5-tri­chloro­phen­yl)acetamide

In the title imidazo[2,1-b][1,3,4]thia­diazole derivative, the tri­chloro­benzene and thia­diazol rings are inclined to one another by 29.26 (17)°. In the crystal, a series of N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds link the mol­ecules to form slabs parallel to the bc plane.

2-Amino-3-methyl­pyridinium 4-meth­oxy­benzoate

In the cation of the title mol­ecular salt, the pyridine ring is protonated at the N atom and the anion is deprotonated at the hy­droxy O atom. In the crystal, anions and cations are linked by N—H⋯O and C—H⋯O hydrogen bonds, forming slabs parallel to the ab plane.

Ethyl 2-[(azido­carbon­yl)amino]­benzoate

The title compound is almost planar (r.m.s. deviation = 0.038 Å) and an intra­molecular N—H⋯O inter­action closes an S(6) ring. In the crystal, aromatic π–π stacking inter­actions occur [inter-centroid distance = 3.65 (2) Å].

5-(2,4-Di­chloro­phen­oxy)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde

The mol­ecular and crystal structure of 5-(2,4-di­chloro­phen­oxy)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde is reported. The crystal structure is stabilized through inter­molecular hydrogen bonds and weak inter­actions.

(4E)-1-Decyl-4-(2-oxo­propyl­idene)-2,3,4,5-tetra­hydro-1H-1,5-benzodiazepin-2-one

In the title mol­ecule, the n-decyl chains in extended conformation form the inter­ior of the bilayer structure while weak C—H⋯O inter­actions help to stabilize the exterior surfaces.

1,1-Di­fluoro-3-phenyl-9-(pyridin-2-yl)-1H-1λ⁴,11λ⁴-1,3,5,2-oxadi­aza­borinino[3,4-a][1,8]naphthyridine

In the title 1,8-naphthyridine derivative, the central fused three-ring oxadi­aza­borininona­phthyridine system is planar (r.m.s. deviation of 0.03 Å). The phenyl ring lies in the plane of this ring system, making a dihedral angle of 0.61 (14)°, and is inclined to the pyridine ring by 9.02 (19)°.

N,N′-(Ethane-1,2-di­yl)bis­(2-chloro­benzamide)

The title benzamide derivative crystallized with one half-mol­ecule in the asymmetric unit, the whole mol­ecule being generated by inversion symmetry. The compound has a twisted conformation with the dihedral angle between the amide group and the benzene ring being 52.4 (2)°.

Hexa­cyclo­[7.5.1.0^1,6.0^6,13.0^8,12.0^10,14]penta­decane-7,15-dione

In the title cage compound, an unusually long C—C cyclo­butane bond length [1.607 (3) Å] is present. Only one very weak inter­molecular hydrogen-bonding inter­action is found in the crystal packing.

5-Butyl-5-(2-methyl-1H-inden-1-yl)-5H-dibenzo[b,d]silole

In the title dibenzo[b,d]silole mol­ecule, the butyl group displays an extended conformation, with a C—C—C—C torsion angle of 176.8 (2)°.

1-(4-Fluoro­phen­yl)-4,4,6-tri­methyl-3,4-di­hydro­pyrimidine-2(1H)-thione

In 1-(4-fluoro­phen­yl)-4,4,6-tri­methyl­tetra­hydro­pyrimidine-2(1H)-thione, the di­hydro­pyrimidine ring is in a flattened boat conformation with deviations of 0.135 (2) and 0.371 (2) Å for the flurophenyl-substituted N atom and the dimethyl-substituted C atom, respectively from the four other essentially planar atoms. In the crystal, pairs of mol­ecules related by twofold rotation axes are linked by N—H⋯S hydrogen bonds forming dimers.

2-{[(2-Meth­oxy­naphthalen-1-yl)meth­yl]amino}­phenol

The title compound, C₁₈H₁₇NO₂, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. The dihedral angle between the naphthalene ring system and the benzene ring is 74.67 (10)° in mol­ecule A and 78.81 (9)° in mol­ecule B.

2-(5-Bromo-1H-indol-3-yl)-4-(4-bromo­phen­yl)-5-(4-chloro­benzo­yl)-1H-pyrrole-3-carbo­nitrile di­methyl sulfoxide monosolvate

In the title compound, the indole ring is inclined to the central pyrrole ring by 25.7 (2)°. The chloro­benzene ring and the bromo­benzene rings subtend dihedral angles of 56.5 (2) and 53.4 (2)°, respectively, with the central pyrrole ring.

4-Chloro-1-[2-(2-chloro­phen­yl)eth­yl]-2-nitro­benzene

The crystal structure of 4-chloro-1-[2-(2-chloro­phen­yl)eth­yl)-2-nitro­benzene is reported. The crystal structure features C—H⋯O hydrogen bonds and π–π inter­actions.

(3S,4S)-4-Phenyl-1,5-bis­(prop-2-en-1-yl)-3-(prop-2-en-1-yl­oxy)-2,3,4,5-tetra­hydro-1H-1,5-benzo­diazepin-2-one

In the crystal, the title compound forms helical supra­molecular chains running parallel to the b axis via weak C—H⋯O hydrogen bonds.