Poly[di-μ₂-acetato-κ⁴O:O′-μ₃-thio­urea-κ³S:S:S-lead(II)]: a redetermination

This study concerns a redetermination of the structure of the polymeric lead(II) thio­urea complex: [Pb(C₂H₃O₂)₂{SC(NH₂)₂}]_n with diffractometer instead of photographic data and at the lower temperature of 100 K.

{2-[Bis(2,4-di-tert-butyl­phen­oxy)phosphan­yloxy-κP]-3,5-di-tert-butyl­phenyl-κC¹}{3,3′-di-tert-butyl-5,5′-dimeth­oxy-2,2′-bis­[(1,1,2,2-tetra­phenyl­ethane-1,2-di­oxy)phosphan­yloxy-κP]biphen­yl}rhodium(I) toluene-d₈ 2.7-solvate

The title compound consists of two phospharhodacyclic substructures sharing one Rh atom, which are formed by coordination/ortho-metallation of a triaryl phosphite, and by the coordination of a rigid bis­phosphite, respectively.

catena-Poly[[di­chlorido­mercury(II)]-μ-3,5-bis­[2-(pyridin-4-yl)ethyn­yl]pyridine-κ²N:N′]

The angular pyridyl-based ligand 3,5-bis­(pyridin-4-ylethyn­yl)pyridine was employed to react with HgCl₂ and lead to the formation of a zigzag polymer chain structure.

(2-Benzoyl-1-phenyl­ethenolato-κ²O,O′)bis­[2-(1-phenyl-1H-benzimidazol-2-yl)phenyl-κC¹]iridium(III) di­chloro­methane disolvate

In a neutral Ir^III complex with 1,2-diphenyl-1Hbenzimidazole and 2-benzoyl-1-phenyl­ethenolate ligands, the coordination sphere of the Ir^III atom is that of a slighlty distorted C₂N₂O₂ octa­hedron, with the N atoms in a trans configuration.

Tris(6-tert-butyl-4-methyl­pyridazine-3-thiol­ato-κ²N,S)aluminium

The title compound is composed of an aluminium centre coordinated by three bidentate thio­pyridazine ligands in an octa­hedral environment.

Hexa­aqua­manganese(II) bis­[hydrogen (4-amino­phen­yl)arsonate] tetra­hydrate

The manganese(II) salt of p-arsanilic acid features a centrosymmetric [Mn(H₂O)₆]²⁺ cation species and inversion-related hydrogen (4-amino­phen­yl)arsonilate cations which, together with four water mol­ecules of solvation, generate a three-dimensional structure through extensive O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonding.

3-[2-(2-Amino-1H-benzo[d]imidazol-1-yl)eth­yl]-1,3-oxazolidin-2-one

In the title compound, the oxazoline ring displays a twisted conformation on the –CH₂–CH₂– bond and its mean plane makes a dihedral angle of 57.4 (1)° with the benzimidazole ring mean plane. In the crystal, mol­ecules are linked by N—H⋯O and N—H⋯N hydrogen bonds, forming chains propagating along the a-axis direction.

5-(4-Meth­oxy­phen­yl)-1,3,4-oxa­diazol-2-amine

In the title compound, the dihedral angle between the aromatic rings is 8.64 (10)°. The crystal structure features inversion-related dimers linked by pairs of N—H⋯N hydrogen bonds, generating (8) loops. A further N—H⋯N hydrogen bond links the dimers into (100) sheets.

A monoclinic polymorph of 2-(4-nitro­phen­yl)acetic acid

A new monoclinic form of 4-nitro­phenyl­acetic acid differs from the known ortho­rhom­bic form both in is mol­ecular conformation and in its inter­molecular contacts. The plane of the carb­oxy­lic acid group is more nearly perpendicular to the plane of the aromatic ring than in the previous form. Both polymorphs display hydrogen-bonded (8) carb­oxy­lic acid dimeric pairs, but here neighbouring dimers inter­act through nitro–nitro N⋯O dipole–dipole contacts rather than the nitro–carbonyl contacts found in the ortho­rhom­bic form.

(3Z)-3-Benzyl­idene-1H-benzimidazo[1,2-a]imidazol-2(3H)-one

The structure of the title mol­ecule is reported. N—H⋯N and C—H⋯O together with C—H⋯π(ring) and π–π stacking inter­actions stabilize the crystal structure.

Ethyl 2,2-di­methyl-4-oxo-6-phenyl-3,4-di­hydro-2H-pyran-5-carboxyl­ate

The title mol­ecular compound crystallized in the space group P2₁. The 3,4-di­hydro-2H-pyran-4-one moiety makes a dihedral angle of 42.76 (10)° with the phenyl group. The crystal structure is stabilized by C—H⋯O inter­actions, forming a three-dimensional network enclosing an (6) ring motif along the c axis. A short intra­molecular O⋯O contact is found giving rise to an S(5) motif.

3-Methyl-4,5,6,7,8,9-hexa­hydro­cyclo­octa­[d][1,2,3]selena­diazol]-3-ium iodide triiodide (3/2/1)

The title compound was prepared by methyl­ation of the selena­diazole with methyl iodide. In the crystal, three independent selena­diazo­lium ions are arranged in layers connected via I₃⁻·(I⁻)₂ anion layers.

3-Meth­oxy-4-(prop-2-yn-1-yl­oxy)benzaldehyde

In the title compound, the prop-2-yn-1-yl group is inclined to the benzene ring by 69 (7)°. In the crystal, mol­ecules are linked by a pair of C—H⋯O hydrogen bonds, forming inversion dimers with an (12) ring motif.

9-Ethyl-6-methyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-one

In the title compound, the triazepine ring displays a boat conformation and its mean plane is inclined to the triazole ring by 22.10 (9)°. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming chains parallel to [010].

Di­methyl 4,4′-(di­methyl­silanedi­yl)dibenzoate

The complete mol­ecule of the title compound is generated by crystallographic twofold symmetry, with the Si atom lying on the rotation axis. The mol­ecule adopts a V-shape. In the crystal, weak C—H⋯O hydrogen bonds link the mol­ecules into [101] chains.

Methyl 2-(benzo­yloxy)benzoate

In the title compound, the arene rings are inclined at an angle of 65.97 (6)°. In the crystal, mol­ecules are linked by C—H⋯π inter­actions, forming chains propagating along the b-axis direction.

Ethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate: a triclinic polymorph

The title compound crystallizes in the triclinic space group P-1. The previously reported polymorph occurs in the monoclinic space group P2₁/c and has two independent mol­ecules in the asymmetric unit [Wang (2010). Acta Cryst. E66, o2822].

2,3-Di­hydro­benz[4,5]imidazo[2,1-b]thia­zole

The asymmetric unit of the title compound consists of two independent mol­ecules (A and B) differing in the conformation of the thia­zole ring; twisted for mol­ecule A and planar for mol­ecule B. In the crystal, the two mol­ecules are linked by a C—H⋯N hydrogen bond.

2-Amino-5-bromo­pyridinium 2-phen­oxy­acetate

In the crystal of the organic salt C₅H₆BrN₂⁺·C₈H₇O₃⁻, the cations and the anions are linked via N—H⋯O and C—H⋯O hydrogen bonds, forming a helical chain.

(E)-1-(4-Meth­oxy­phen­yl)-3-(2,4,5-tri­meth­oxy­phen­yl)prop-2-en-1-one

In the title chalcone derivative, the dihedral angle between the benzene rings is 3.97 (8)°. In the crystal, mol­ecules are linked by weak C—H⋯O hydrogen bonds, forming C(9) chains propagating along the [010] direction.

Ethyl (2E)-3-di­methyl­amino-2-(5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7-yl)prop-2-enoate

The large side chain is nearly perpendicular to the mean plane of the triazolo­pyrimidine ring system. The only significant inter­molecular inter­action in the crystal is a C—H⋯O hydrogen bond.

(5Z)-3-(2-Oxoprop­yl)-5-(3,4,5-tri­meth­oxy­benzyl­idene)-1,3-thia­zol­idine-2,4-dione

The packing of the title mol­ecule is directed by C—H⋯O, C—H⋯π(ring) and offset π–π stacking inter­actions. These generate small channels running parallel to the a axis with approximate cross-sections of 3.7 × 8.1 Å.

5-Bromo-1,2,4-triazolo[1,5-a]pyrimidine

The crystal structure of this triazolo­pyrimidine derivative features C—H⋯N hydrogen bonds, Br⋯N halogen bonds, π–π stacking inter­actions and Br⋯π contacts, which combine to stack the mol­ecules along the a-axis direction.

(E)-1-(5-Chloro­thio­phen-2-yl)-3-(2,4-di­methyl­phen­yl)prop-2-en-1-one

The mol­ecular and crystal structure of a chloro­thio­phene derivative is reported. In the crystal, the mol­ecules are linked by weak hydrogen bonds, forming chains propagating along the c axis.

Ethyl 3-methyl-1-phenyl-5-(p-tol­yl)-1H-pyrazole-4-carboxyl­ate

In the title compound, the pyrazole ring makes dihedral angles of 39.74 (8) and 60.35 (8)° with the phenyl and toluene rings, respectively. In the crystal, mol­ecules are linked by C—H⋯π inter­actions, forming chains propagating along [100].

1,4-Bis{5-[bis­(propan-2-yl­oxy)phosphor­yl]thio­phen-2-yl}-2,5-di­propoxybenzene

The title compound was prepared by the nickel-catalyzed reaction of bis­(5-bromo­thien­yl)dipropoxybenzene and triisopropyl phosphite. Four hydrogen bonds connect the mol­ecules, which are arranged in ribbons parallel to the bc plane.

2,3,5,6-Tetra­kis{[(pyridin-2-yl)sulfan­yl]meth­yl}pyrazine

The complete mol­ecule of the title compound, C₂₈H₂₄N₆S₄, is generated by crystallographic inversion symmetry. In the crystal, mol­ecules are linked by C—H⋯π and π–π inter­actions.

t-3-Benzyl-r-2,c-6-di­phenyl­piperidin-4-one oxime

In the title compound, the piperidine ring adopts a slightly distorted chair conformation. In the crystal, mol­ecules are linked via O—H⋯N hydrogen bonds, forming C(7) chains along the c axis.

4-Benzyl-1,2,4-tri­aza­spiro­[4.5]dec-1-ene-3-thione

In the title compound, the cyclo­hexane ring adopts a chair conformation. The crystal structure features C—H⋯S hydrogen bonds.

1-Benzyl-4-phenyl-1H-1,5-benzodiazepin-2(3H)-one

In the title mol­ecule, the seven-membered ring adopts a boat conformation. Pairwise C—H⋯π(ring) inter­actions form centrosymmetric dimers which pack in zigzag layers associated through weak C—H⋯O hydrogen bonds.

4-[(4-Hy­droxy­methyl-2H-1,2,3-triazol-2-yl)meth­yl]-6-iso­propyl-2H-chromen-2-one

In the title compound, the triazole ring is inclined to the chromene ring system by 78.3 (2)°. In the crystal, mol­ecules are linked by C—H⋯N hydrogen bonds into helical supra­molecular chains along the b axis.

2-Methyl-3-(3-methyl­isoxazol-5-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-1-ium chloride

The cation and anion are linked by an N—H⋯Cl hydrogen bonded, while weak C—H⋯N, C—H⋯O and C—H⋯Cl inter­actions are present in the extended structure.

(2E)-3-Anilino-1-(2-chloro­phen­yl)-3-(methyl­sulfan­yl)prop-2-en-1-one

In the title enaminone, the dihedral angle between the aromatic rings is 86.34 (9)° and an intra­molecular N—H⋯O hydrogen bond closes an S(6) ring. In the crystal, C—H⋯O hydrogen bonds link the mol­ecules into (010) double sheets.

(Z)-3-(4-Methyl­benzyl­idene)-4-oxo­penta­noic acid

The structure of the levulinic acid derivative (Z)-3-(4-methyl­benzyl­idene)-4-oxo­penta­noic acid is reported. The crystal structure is stabilized by inter­molecular hydrogen bonds.

Ethyl 2-(6-bromo-2-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)acetate

The title imidazo[4,5-b]pyridine derivative crystallizes with two independent mol­ecules in the asymmetric unit. They differ primarily in the conformations of the ester substituents. In the crystal, mol­ecules are linked via C—H⋯N and C—H⋯O hydrogen bonds, forming sheets parallel to the ab plane.

(E)-4-Meth­oxy-3,5-di­methyl-2-[(3-nitro­phen­yl)ethen­yl]pyridine

In the title crystal, chains extending in the b-axis direction are formed by inter­molecular C—H⋯O hydrogen bonds. The chains are arranged into layers by π–π stacking inter­actions between the substituted pyridine rings.

3-Meth­oxy-2-p-tolyl-4H-chromen-4-one

In the title compound, the methyl-substituted benzene ring is twisted relative to the 4H-chromenon skeleton by 51.5 (2)°. The C atom of the meth­oxy group of the 4H-chromenon unit is displaced from the ring plane by 1.225 (2) Å. In the crystal, C—H—O inter­actions connect the mol­ecules into (001) sheets.

9,9-Di­ethyl-7-ethynyl-N,N-di­phenyl-9H-fluoren-2-amine

The mol­ecular and crystal structure of a fluorene amine derivative is reported. The crystal structure is stabilized by C–H⋯π(ring) contacts.