Bis[1-benzyl-2-(1,3-thia­zol-4-yl)-1H-benzimidazole-κ²N²,N³]dichloridocobalt(II)

In the title compound, [CoCl₂(C₁₇H₁₃N₃S)₂], the Co^II atom exhibits a distorted octa­hedral coordination geometry involving two chloride ligands, one of which is split over two positions [refined site-occupancy ratio = 0.847 (18):0.153 (18)], and four N-atom donors from two 1-benzyl-2-(1,3-thia­zol-4-yl)-1H-benzimidazole ligands. The two chelate rings including the Co^II atom are essentially planar, the maximum deviations from the mean planes being 0.080 (2) and 0.046 (2) Å; the dihedral angle between them is 74.1 (1)°. In both ligands, the thia­zole and benzimidazole rings are nearly coplanar, as indicated by the dihedral angles between their planes of 1.16 (8) and 6.29 (7)°. Each pendant benzene ring is almost perpendicular to the benzimidazole mol­ecule to which it is attached; the dihedral angles between their planes are 75.94 (9) and 75.55 (10)°. The crystal structure is stabilized by non-classical C—H...Cl hydrogen bonding forming a three-dimensional network.

1-(Prop-2-yn­yl)-1H-benzimidazol-2(3H)-one

The benzimidazolone part of the title mol­ecule, C₁₀H₈N₂O, is almost planar [r.m.s. deviation = 0.014 (1) Å] and the NCH₂C[triple bond]CH group forms a dihedral angle of 67.95 (6)° with its best plane. In the crystal, mol­ecules form inversion dimers via pairs of N—H...O hydrogen bonds. C—H...O inter­actions connect the dimers, forming a two-dimensional polymeric network parallel to (100).

1-(4-Methyl­benz­yl)-1H-benzimidazol-2(3H)-one

In the title compound, C₁₅H₁₄N₂O, the fused five- and six-membered ring system is essentially planar, the maximum deviation from the mean plane being 0.009 (1) Å. The benzimidazol-2(3H)-one residue is nearly perpendicular to the benzyl ring, forming a dihedral angle of 77.41 (6)°. In the crystal, inversion dimers are formed by pairs of N—H...O hydrogen bonds; these dimers are linked by weak C—H...O inter­actions into a two-dimensional array in the (102) plane.

1-Allyl-5-nitro-1H-benzimidazol-2(3H)-one

The benzimidazolone residue in the title mol­ecule, C₁₀H₉N₃O₃, is almost planar, with the largest deviation from the mean plane being 0.016 (2) Å for the C atom linked to the nitro group. This plane is nearly perpendicular to the 1-allyl chain as indicated by the C—N—C—C torsion angle of 90.9 (3)°. The fused-ring system makes a dihedral angle of 5.6 (3)° with the nitro group, leading to a synperiplanar conformation. In the crystal, zigzag supra­molecular chains are formed along the a axis by N—H...O hydrogen bonds.

Ethyl 2-oxo-3-(3-phthalimidoprop­yl)-2,3-dihydro-1H-1,3-benzimidazole-1-carboxyl­ate

In the title compound, C₂₁H₁₉N₃O₅, the phthalimide and benzamidazole ring systems are linked by a propyl chain. The benzamidazole unit also carries an eth­oxy­carbonyl substit­uent. The phthalimido and benzimidazole ring systems are essentially planar, the maximum deviations from their mean planes being 0.008 (2) and 0.020 (2) Å, respectively. The two ring systems are almost orthogonal to one another, making a dihedral angle of 82.37 (8)°. In the crystal, C—H...O hydrogen bonds and C—H...π contacts stack the mol­ecules along the b axis.

3-[2-(3-Phenyl-2-oxo-1,2-di­hydro­quin­oxalin-1-yl)eth­yl]-1,3-oxazolidin-2-one

The di­hydro­quinoxaline ring system of the title mol­ecule, C₁₉H₁₇N₃O₃, is approximately planar [maximum deviation = 0.050 (2) Å], the dihedral angle between the planes through the two fused rings being 4.75 (8)°. The mean plane through the fused-ring system forms a dihedral angle of 30.72 (5)° with the attached phenyl ring. The mol­ecular conformation is enforced by C—H...O hydrogen bonds. In the crystal, mol­ecules are linked by weak C—H...O hydrogen bonds, forming a three-dimensional network.

Ethyl 7-methyl-2-phenyl­pyrazolo­[1,5-a]pyrimidine-5-carboxyl­ate

The fused pyrazole and pyrimidine rings in the title compound, C₁₆H₁₅N₃O₂, are almost coplanar, being inclined to one another by 1.31 (12)°. The mean plane of this fused ring system is nearly coplanar with the phenyl ring, as indicated by the dihedral angle between their planes of 1.31 (12)°. The fused-ring system and the phenyl ring are nearly coplanar, as indicated by the dihedral angle of 1.27 (10)°. In the crystal, mol­ecules form inversion dimers via pairs of C—H...O hydrogen bonds. C—H...N inter­actions connect the dimers into a three-dimensional network. In addition, π–π contacts are observed, with centroid–centroid distances of 3.426 (2) Å.

7-Chloro-5-methyl-2-phenyl­pyrazolo­[1,5-a]pyrimidine

The fused pyrazole and pyrimidine rings in the title compound, C₁₃H₁₀ClN₃, are almost coplanar, their planes being inclined to one another by 0.8 (2)°. The mean plane of the fused ring system is nearly coplanar with the phenyl ring, as indicated by the dihedral angle between their planes of 9.06 (7)°.

N-(2-Bromo-4-methyl­phen­yl)-2-(5-methyl-2-phenyl­pyrazolo­[1,5-a]pyrimidin-7-yl)acetamide

The fused pyrazole and pyrimidine rings in the title compound, C₂₂H₁₉BrN₄O, are almost coplanar, their planes being inclined to one another by 2.08 (13)°. The dihedral angles formed by the mean plane of the fused ring system and the phenyl and benzene rings are 16.21 (4) and 82.84 (4)°, respectively. An intra­molecular N—H...N hydrogen bond is observed. In the crystal, mol­ecules form inversion dimers via pairs of C—H...O hydrogen bonds. π–π inter­actions, with centroid–centroid distances of 3.4916 (9) Å, connect the dimers into a three-dimensional network.

1-(Prop-2-en-1-yl)-3-{[3-(pyridin-4-yl)-4,5-di­hydro­isoxazol-5-yl]meth­yl}-1H-anthra[1,2-d]imidazole-2,6,11(3H)-trione

The fused five- and three six-membered rings of the anthra[1,2-d]imidazole­trione part of the title compound, C₂₇H₂₀N₄O₄, show two different substituents at the imidazole N atoms, viz. an allyl group and a [3-(pyridin-4-yl)-4,5-di­hydro­isoxazol-5-yl]methyl group. The fused-ring system is approximately planar [r.m.s. deviation = 0.232 (2) Å], but is slightly buckled along the common edge of the two pairs of adjacent rings, with a dihedral angle between them of 11.17 (6)°. The isoxazole ring makes dihedral angles of 27.2 (2) and 12.7 (2)° with the imidazole and pyridine rings, respectively. Weak C—H...O and C—H...N hydrogen bonds ensure the cohesion of the crystal structure, forming a three-dimensional network.

3-Benzyl-6-bromo-1H-imidazo[4,5-b]pyridin-2(3H)-one

The fused imidazole and pyridine rings in the title compound, C₁₃H₁₀BrN₃O, are linked to a benzyl group. The fused ring system is essentially planar, the largest deviation from the mean plane being 0.006 (2) Å. The phenyl ring is not coplanar with the fused ring system, as indicated by the dihedral angle of 67.04 (12)°. In the crystal, mol­ecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers.

6-Bromo-1,3-bis­[(1,3-dioxolan-2-yl)meth­yl]-1H-imidazo[4,5-b]pyridin-2(3H)-one

In the title compound, C₁₄H₁₆BrN₃O₅, the N atoms adjacent to the carbonyl group in the five-membered ring are substituted by (1,3-dioxolan-2-yl)methyl groups. The fused ring system is essentially planar, with the largest deviation from the mean plane being 0.014 (2) Å for the C atom bearing the Br atom. The first oxolane ring, attached on the side of the N atom belonging to the pyridine ring, has an envelope conformation with one of the O atoms as the flap, whereas the second oxolane ring displays a twisted boat conformation. The two oxolane rings display envelope and twisted boat conformations. In the crystal, mol­ecules are linked by C—H...O hydrogen bonds, building chains parallel to the a-axis direction.

5-Nitro-1,3-bis­(prop-2-yn­yl)-1H-1,3-benzimidazol-2(3H)-one

The title compound, C₁₃H₉N₃O₃, crystallizes with two identical but differently oriented mol­ecules in the asymmetric unit, the dihedral angle between the fused-ring systems of the two molecules being 64.39 (7)°. The two prop-2-ynyl chains are located on opposite sides of the mol­ecule and are nearly perpendicular to the fused ring plane, as indicated by the C—N—C—C torsion angles in the range 106.0 (3)–113.4 (3)°. In the crystal, the two mol­ecules are linked through C—H...O hydrogen bonds into dimers, which are subsequently linked by further C—H...O inter­actions, building a three-dimensional network.

N′-(3-Sulfanyl­idene-3,4-di­hydro­quinoxalin-2-yl)benzohydrazide di­methyl­formamide monosolvate

The 2-sulfanyl­idene-3,4-di­hydro­quinoxalin-2-yl ring system of the title solvate, C₁₅H₁₂N₄OS·C₃H₇NO, is essentially planar, the maximum deviation from the mean plane being 0.024 (2) Å for the thione C atom. The mean plane through the fused-ring system is almost perpendicular to the terminal phenyl ring, as indicated by the dihedral angle of 70.05 (8)°. In the crystal, the main and solvent mol­ecules are linked by N—H...O hydrogen bonds, forming a layer parallel to (010).

N′-Phenyl-N′-[3-(2,4,5-triphenyl-2,5-di­hydro-1H-pyrazol-3-yl)quinoxalin-2-yl]benzohydrazide

The mol­ecule of the title compound, C₄₂H₃₂N₆O, is built up from one pyrazole ring linked to three phenyl rings and to an approximately planar [maximum deviation = 0.0455 (15) Å] quinoxaline system connected to a phenyl­benzohydrazide group. The pyrazole ring assumes an envelope conformation, the C atom attached to the quinoxalin-3-yl ring system being the flap atom. The dihedral angle between the two phenyl rings of the phenyl­benzohydrazide group is of 58.27 (9)°. The mean plane through the pyrazole ring is nearly perpendicular to the quinoxaline ring system and to the phenyl ring attached to the opposite side, forming dihedral angles of 82.58 (7) and 87.29 (9)°, respectively. An intra­molecular C—H...O hydrogen bond is present. In the crystal, mol­ecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers, which are further connected by C—H...N hydrogen bonds into chains parallel to the b axis.

1-Allyl-3-benzyl-1H-benzimidazol-2(3H)-one

In the title compound, C₁₇H₁₆N₂O, the fused benzimidazol-2(3H)-one system is essentially planar, the largest deviation from the mean plane being 0.006 (2) Å for the carbonyl C atom. Its mean plane is almost perpendicular to the benzyl plane and to the allyl group, making dihedral angles of 80.6 (1) and 77.4 (3)°, respectively. The benzyl group and the allyl subsituent lie on opposite sides of the fused ring system. In the crystal, mol­ecules are linked by bifurcated C—H...O hydrogen bonds in which the carbonyl O atom acts as accepter to two aromatic C—H groups, forming a two-dimensional network parallel to (001).

4-Benzyl­sulfanyl-1H-pyrazolo­[3,4-d]pyrimidine

The pyrazolo­[3,4-d]pyrimidine ring system of the title compound, C₁₂H₁₀N₄S, is essentially planar [maximum deviation = 0.025 (1) Å for the C atom bearing the S atom] and almost perpendicular to the phenyl ring [dihedral angle = 71.42 (6)°]. In the crystal, mol­ecules are linked via pairs of N—H...N hydrogen bonds, forming inversion dimers.

1-Octylindoline-2,3-dione

In the title compound, C₁₆H₂₁NO₂, the indoline ring and the two ketone O atoms are approximately coplanar, the largest deviation from the mean plane being 0.063 (2) Å. The mean plane through the fused ring system is nearly perpendicular to the mean plane passing through the 1-octyl chain [dihedral angle = 77.53 (17)°]. In the crystal, mol­ecules are linked by C—H...O hydrogen bonds, forming a three-dimensional network.