3-(Prop-2-yn-1-yl­oxy)phthalo­nitrile

In the title compound, C₁₁H₆N₂O {systematic name: 3-(prop-2-yn-1-yl­oxy)benzene-1,2-dicarbo­nitrile}, the 14 non-H atoms are approximately coplanar (r.m.s. deviation = 0.051 Å) with the terminal ethyne group being syn with the adjacent cyano residue. In the crystal, centrosymmetric dimers are connected by pairs of C—H...N inter­actions and these are linked into a supra­molecular tape parallel to (1-30) via C—H...N inter­actions involving the same N atom as acceptor.

4-Carb­oxy­pyridin-1-ium 2,4,5-tri­carb­oxy­benzoate monohydrate

The title hydrated salt, C₆H₆NO₂⁺·C₁₀H₅O₈⁻·H₂O, was isolated from the 1:1 cocrystallization of benzene-1,2,4,5-tetra­carb­oxy­lic acid and isonicotinic acid in ethanol solution. In the crystal, the cation is close to planar [r.m.s. deviation = 0.085 Å for the nine fitted atoms; the C—C—C—O(carbon­yl) torsion angle = −8.7 (4)°], but twists are evident in the anion, with all but the carb­oxy­lic acid group diagonally opposite the carboxyl­ate group being significantly twisted out of the plane of the benzene ring [C—C—C—O(carbon­yl) torsion angles = −118.1 (2), −157.6 (2), 4.3 (3) and 77.3 (3)°]. In the crystal, the ions and water mol­ecules are consolidated into a three-dimensional architecture by O—H...O and N—H...O hydrogen bonding along with C—H...O inter­actions.

3-Acetyl-2,4-di­methyl­quinolin-1-ium chloride

In the title salt, C₁₃H₁₄NO⁺·Cl⁻, the dihedral angle between the fused ring system (r.m.s. deviation = 0.039 Å) and the attached aldehyde group is 75.27 (16)°. In the crystal, the cation and anion are linked by an N—H...Cl hydrogen bond and the resulting pairs are connected into four-ion aggregates by π–π inter­actions between the C₆ and pyridinium rings [3.6450 (9) Å] of inversion-related quinolinium residues.

(2E)-1-(4-Bromo­phen­yl)-3-[3-(4-meth­oxy­phen­yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one

The pyrazole ring in the title compound, C₂₅H₁₉BrN₂O₂, is almost planar (r.m.s. deviation = 0.003 Å) and forms dihedral angles of 7.56 (13) and 56.48 (13)° with the N- and C-bound benzene rings, respectively. The prop-2-en-1-one residue has an E conformation about the C=C double bond [1.328 (4) Å] and is almost coplanar with the pyrazole ring [C—C—C—C torsion angle = −174.4 (3)°]. A twist between the prop-2-en-1-one unit and the terminal benzene ring is evident [C—C—C—C torsion angle = −15.4 (4)°]. In the crystal, mol­ecules are consolidated into a three-dimensional architecture by C—H...O, C—H...π and π–π [centroid–centroid separation = 3.7597 (16) Å] inter­actions.

Pallidol hexa­acetate ethyl acetate monosolvate

The entire mol­ecule of pallidol hexa­acetate {systematic name: (±)-(4bR,5R,9bR,10R)-5,10-bis­[4-(acet­yloxy)phen­yl]-4b,5,9b,10-tetra­hydro­indeno­[2,1-a]indene-1,3,6,8-tetrayl tetra­acetate} is completed by the application of twofold rotational symmetry in the title ethyl acetate solvate, C₄₀H₃₄O₁₂·C₄H₈O₂. The ethyl acetate mol­ecule was highly disordered and was treated with the SQUEEZE routine [Spek (2009). Acta Cryst. D65, 148–155]; the crystallographic data take into account the presence of the solvent. In pallidol hexa­acetate, the dihedral angle between the fused five-membered rings (r.m.s. deviation = 0.100 Å) is 54.73 (6)°, indicating a significant fold in the mol­ecule. Significant twists between residues are also evident as seen in the dihedral angle of 80.70 (5)° between the five-membered ring and the pendent benzene ring to which it is attached. Similarly, the acetate residues are twisted with respect to the benzene ring to which they are attached [C—O(carb­oxy)—C—C torsion angles = −70.24 (14), −114.43 (10) and −72.54 (13)°]. In the crystal, a three-dimensional architecture is sustained by C—H...O inter­actions which encompass channels in which the disordered ethyl acetate mol­ecules reside.

3-({[Bis(2-methyl­prop­yl)carbamo­thio­yl]amino}­carbon­yl)benzamide

In the title compound, C₁₇H₂₅N₃O₂S, the terminal and central amide groups are, respectively, twisted and coplanar with the attached benzene ring [O—C—C—C torsion angles = 22.7 (3) and 5.4 (3)°]. In the central part of the mol­ecule, the amide and thio­amide residues are approximately perpendicular [C—N—C—S torsion angle = −104.98 (18)°]. Supra­molecular layers with a zigzag topology are formed in the crystal packing by N—H...O, N—H...S and C—H...O inter­actions; these stack along c, being separated by hydro­phobic inter­actions.

3-{[(Di­benzyl­carbamo­thio­yl)amino]­carbon­yl}benzamide

Two independent mol­ecules with quite similar conformations, A and B, comprise the asymmetric unit of the title compound, C₂₃H₂₁N₃O₂S. The terminal amide substituent is coplanar with the attached benzene ring [the O—C—C—C torsion angles are 174.0 (2) (A) and 6.3 (3)° (B)]. In the same way, the central amide group [C—C—C—O = 7.8 (3) (A) and 11.5 (3)° (B)] is approximately coplanar with the ring to which it is attached. A major twist is noted between the amide and adjacent thio­amide residues [C—N—C—S = −109.29 (19) (A) and −112.29 (19)° (B)]. In the crystal, supra­molecular chains along [100] are formed by N—H...O and N—H...S hydrogen bonding. These are connected into a three-dimensional architecture by C—H...π and π–π inter­actions [inter-centroid distance = 3.9157 (12) Å].