Bosentan monohydrate

In the title compound, C₂₇H₂₉N₅O₆S·H₂O {systematic name: 4-tert-butyl-N-[6-(2-hy­droxy­eth­oxy)-5-(2-meth­oxy­phen­oxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide monohydrate], the dihedral angle between the mean planes of the pyrimidine rings is 27.0 (1)°. The dihedral angle between the mean planes of the benzene rings is 47.7 (8)°, forming a U-shaped channel around the chain of twisted pyrimidine rings. The crystal packing is stabilized by O—H...O, O—H...N and N—H...O hydrogen bonds with a single water mol­ecule, and weak O—H...N inter­molecular inter­actions between the hy­droxy group and one of the pyrimidine rings producing an two-dimensional supra­molecular array in the bc plane. The title compound studied was a merohedral twin with the major component being approximately 57%.

catena-Poly[[[O,O′-bis­(2-methyl­phen­yl) dithio­phosphato-κ²S,S]lead(II)]-μ-O,O′-bis­(2-methyl­phen­yl) dithio­phosphato-κ³S,S′:S]

In the title compound, [Pb(C₁₄H₁₄O₂PS₂)₂]_n, the metal atom is surrounded by two O,O′-bis­(2-methyl­phen­yl) dithio­phosphate ligands bonding through the S-donor atoms. Three of the Pb—S bond lengths are are close to each other at 2.7710 (18), 2.8104 (16) and 2.8205 (16) Å, while the fourth Pb—S bond is elongated at 3.0910 (18) Å and reflects the fact that this atom is involved in inter­molecular bridging to an adjacent Pb^II atom [Pb—S = 3.145 (2) Å]. The bond angles demonstrate that the Pb^II atom contains a stereochemically active lone pair with a distorted octa­hedral geometry about the Pb^II atom. This distortion is shown by the S—Pb—S bite angles of 73.63 (4) and 69.50 (4)°, while the remaining S—Pb—S angles range from 81.03 (5) to 143.66 (5)°. One of the benzene rings shows positional disorder over two orientations with occupancy factors of 0.747 (11) and 0.253 (11).

2-(2,4-Dichloro­phen­yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide

In the crystal structure of the title compound, C₁₉H₁₇Cl₂N₃O₂, the mol­ecules form dimers of the R₂²(10) type through N—H...O hydrogen bonding. As a result of steric repulsion, the amide group is rotated with respect to both the dichloro­phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings, making dihedral angles of 80.70 (13) and 64.82 (12)°, respectively. The dihedral angle between the dichloro­phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings is 48.45 (5)° while that between the 2,3-dihydro-1H-pyrazol-4-yl and phenyl rings is 56.33 (6)°.

Ethyl 2,7,7-trimethyl-4-(1-methyl-1H-indol-3-yl)-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate

In the title mol­ecule, C₂₄H₂₈N₂O₃, the cyclo­hexene ring is in a sofa conformation and the 1,4-dihydro­pyridine ring is in a slight boat conformation. In the indole ring system, the pyrrole and benzene rings form a dihedral angle of 2.63 (7)°. In the crystal, N—H...O hydrogen bonds connect the mol­ecules into C(6) chains parallel to the b axis and pairs of weak C—H...O hydrogen bonds link inversion-related chains into a ladder motif through R₂²(18) rings. A weak intra­molecular C—H...O hydrogen bond is also observed.

2-(2,6-Dichloro­phen­yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide

In the title compound, C₁₉H₁₇Cl₂N₃O₂, the amide group is planar and, through N—H...O hydrogen bonding to an adjoining mol­ecule, forms dimers of the R₂²(10) type. As a result of steric repulsion, the amide group is rotated with respect to both the dichloro­phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings, making dihedral angles of 71.63 (11) and 57.93 (10)°, respectively. The dihedral angle between the dichloro­phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings is 76.60 (10)° while that between the 2,3-dihydro-1H-pyrazol-4-yl and phenyl rings is 49.29 (7)°. The crystal structure also features weak C—H...O inter­actions.

2-(1-Phenyl-1H-benzimidazol-2-yl)phenol

In the title mol­ecule, C₁₉H₁₄N₂O, the benzimidazole unit is close to being planar [maximum deviation = 0.0253 (11) Å] and forms dihedral angles of 68.98 (6) and 20.38 (7)° with the adjacent phenyl and benzene rings; the dihedral angle between the latter two planes is 64.30 (7)°. An intra­molecular O—H...N hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked by C—H...N and C—H...O hydrogen bonds, and consolidated into a three-dimensional architecture by π–π stacking inter­actions, with a centroid–centroid distance of 3.8428 (12) Å.

2,2,7,7-Tetra­methyl-1,2,3,4,5,6,7,8-octa­hydro­acridine-1,8-dione

The whole molecule of the title compound, C₁₇H₂₁NO₂, is generated by twofold rotational symmetry. The N atom and the C and H atoms in position 4 of the pyridine ring lie on the twofold axis. The cyclohexene ring has a sofa conformation with the CH₂ C atom adjacent to the dimethyl-substituted C atom displaced by 0.5949 (16) Å from the mean plane of the other five C atoms. In the crystal, weak C—H...O inter­actions link the mol­ecules into chains parallel to the a axis. In addition, π–π stacking inter­actions [centroid–centroid distance = 3.8444 (7) Å] contribute to the stabilization of the crystal structure.

Cinnarizinium fumarate

In the title salt {systematic name: 4-diphenyl­methyl-1-[(E)-3-phenyl­prop-2-en-1-yl]piperazin-1-ium (2Z)-3-carb­oxy­prop-2-enoate}, C₂₆H₂₉N₂⁺·C₄H₃O₄⁻, the piperazine ring in the cation adopts a distorted chair conformation and contains a positively charged N atom with quaternary character. The dihedral angle between the mean planes of the phenyl rings of the diphenyl­methyl group is 74.2 (7)° and those between these rings and the phenyl ring of the 3-phenyl­prop-2-en-1-yl group are 12.7 (9) and 80.6 (8)°. In the crystal, N—H...O and O—H...O hydrogen bonds form chains along [001]. Weak C—H...O inter­actions connect parallel chains along [010], forming layers perpendicular to the a-axis direction.