(E)-5-(2-Chloro­phen­yl)-7-ethyl-2-oxo-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepin-4-ium 2,4,6-trinitro­phenolate

In the title molecular salt, C₁₅H₁₄ClN₂OS⁺·C₆H₂N₃O₇⁻, protonation occurred on the double-bonded N atom. One of the nitro groups shows slight disorder over two orientations, with an occupancy ratio of 0.91:0.09. In the crystal, classical N—H...O hydrogen bonds, as well as C—H...O contacts connect the components into a three-dimensional network. The seven-membered ring adopts a boat-like conformation. The least-squares plane defined by its non-H atoms encloses an angle of 38.99 (6)° with the benzene ring bonded to it.

Redetermination of loperamide monohydrate

The structure of the title compound {systematic name: 4-[4-(4-chloro­phen­yl)-4-hy­droxy­piperidin-1-yl]-N,N-dimethyl-2,2-di­phenyl­butanamide monohydrate}, C₂₉H₃₃ClN₂O₂·H₂O, has been redetermined at 170 (2) K. The redetermination is of significantly higher precision than the previous structure determination at room temperature and includes the H-atom coordinates that were not included in the previous report [Germain et al. (1977). Acta Cryst. B33, 942–944]. It consists of a piperidin-1-yl ring in a distorted chair conformation, with the N,N-dimethyl-α,α-diphenyl­butyramide and the 4-chloro­phenyl and hy­droxy groups bonded in para positions and an external water mol­ecule within the asymmetric unit. The dihedral angles between the mean plane of the piperidine ring and the 4-chloro­phenyl and two benzene rings are 83.4 (5), 76.4 (2) and 85.9 (2)°, respectively. The two benzene rings are inclined to one another by 50.8 (6)°. In the crystal, mol­ecules are linked by O—H...O and O—H...N hydrogen bonds and weak C—H...O intermolecular interactions, forming an infinite two-dimensional network along [110].

2-Amino-N-[3-(2-chloro­benzo­yl)-5-ethyl­thio­phen-2-yl]acetamide

In the title compound, C₁₅H₁₅ClN₂O₂S, the 2-amino­acetamide N—C(=O)—C—N unit is approximately planar, with an r.m.s. deviation of 0.020 (4) Å. The central thio­phene ring makes dihedral angles of 7.84 (11) and 88.11 (11)°, respectively, with the 2-amino­acetamide unit and the 2-chloro­phenyl ring. An intra­molecular N—H...O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked by an N—H...O hydrogen bond and weak C—H...O inter­actions into a chain along the c axis. A C—H...π inter­action is also present.

(E)-1-(2,5-Dichloro­thio­phen-3-yl)ethan­one [8-(trifluoro­meth­yl)quinolin-4-yl]hydrazone

In the title compound, C₁₆H₁₀Cl₂F₃N₃S, the dihedral angle between the quinoline and thio­phene ring systems is 4.94 (10)°. The NH group of the hydrazone moiety does not form a hydrogen bond, due to a steric crowding. In the crystal, the thio­phene ring takes part in weak π–π stacking inter­actions with the pyridine ring [centroid-to-centroid separation = 3.7553 (19) Å and inter­planar angle = 5.48 (12)°] and the benzene ring [3.7927 (19) Å and 4.58 (12)°]. Together, these lead to [100] stacks of mol­ecules in an alternating head-to-tail arrangement, with two π–π stacking contacts between each adjacent pair.

4-[3,5-Bis(2-hy­droxy­phen­yl)-1H-1,2,4-triazol-1-yl]benzoic acid dimethyl­formamide monosolvate

In the mol­ecule of deferasirox dimethyl­formamide solvate, C₂₁H₁₅N₃O₄·C₃H₇NO, the central 1,2,4-triazole ring is tilted with respect to the benzoic acid and one of the 2-hy­droxy­phenyl units but coplanar with the other 2-hy­droxy­phenyl group, as indicated by the dihedral angles of 33.69 (9), 72.57 (8) and 5.18 (9)°, respectively. Intra­molecular O—H...N hydrogen bonds generate an S(6) ring motif. In the crystal, deferasirox mol­ecules are linked by O—H...N hydrogen bonds and weak C—H...O inter­actions into chains along the c axis. The dimethyl­formamide solvent mol­ecules are located between the deferasirox chains and are linked to the deferasirox mol­ecules by O—H...O hydrogen bonds and weak C—H...O inter­actions.

Methyl 2,2-diphenyl-2-(prop-2-yn-1-yl­oxy)acetate

The mol­ecular structure of the title compound, C₁₈H₁₆O₃, exhibits a new R₂-C(COOMe)(OCH₂CCH) group. The C-O-C-C torsion angle is 153.3 (1)°. The dihedral angles are 79.89 (5)° between phen­yl/phenyl planes, and 73.13 (5) and 79.05 (8)° for the two COOMe/phenyl plane pairs.

Ethyl N-(2-benzoyl-4-chloro­phen­yl)­ethane­carboximidate

In the title compound, C₁₇H₁₆ClNO₂, the N=C—O—C—C fragment is planar within 0.029 (1) Å, and makes dihedral angles of 66.71 (8) and 59.61 (8)° with the planes of the chloro­phenyl and benzoyl rings, respectively. The carbonyl C=O bond is not coplanar with either of the aromatic rings; it makes angles of 42.5 and 23.5° with the normals to the ring planes. In the crystal, very weak C—H...O, C—H...Cl, C—H...π and π–π [inter­planar distance = 3.53 (1) Å] inter­actions are observed.

4-[Bis(4-fluoro­phen­yl)meth­yl]piperazin-1-ium bis­(trichloro­acetate) 0.4-hydrate

The title compound, C₁₇H₂₀F₂N₂²⁺·2C₂Cl₃O₂⁻·0.4H₂O, has twofold protonated N atoms. The trichloro­acetate anions each show one disordered Cl atom with site occupation factors of 0.945 (7):0.055 (7) 0.945 (8):0.055 (8). In the crystal, N—H...O, O(water)—H...O and O(water)—H...F inter­actions connect the components into a three-dimensional network.

Triprolidinium dichloranilate–chloranilic acid–methanol–water (2/1/2/2)

In the triprolidinium cation of the title compound {systematic name: 2-[1-(4-methyl­phen­yl)-3-(pyrrolidin-1-ium-1-yl)prop-1-en-1-yl]pyridin-1-ium bis­(2,5-dichloro-4-hy­droxy-3,6-dioxo­cyclo­hexa-1,4-dien-1-olate)–2,5-dichloro-3,6-dihy­droxy­cyclo­hexa-2,5-diene-1,4-dione–methanol–water (2/1/2/2)}, C₁₉H₂₄N₂²⁺·2C₆HCl₂O₄⁻·0.5C₆H₂Cl₂O₄·CH₃OH·H₂O, the N atoms on both the pyrrolidine and pyridine groups are protonated. The neutral chloranilic acid mol­ecule is on an inversion symmetry element and its hy­droxy H atoms are disordered over two positions with site-occupancy factors of 0.53 (6) and 0.47 (6). The methanol solvent mol­ecule is disordered over two positions in a 0.836 (4):0.164 (4) ratio. In the crystal, N—H...O, O—H...O and C—H...O inter­actions link the components. The crystal structure also features π–π inter­actions between the benzene rings [centroid–centroid distances = 3.5674 (15), 3.5225 (15) and 3.6347 (15) Å].

(R)-Doxylaminium (R,R)-tartrate

In the title compound (systematic name: (R)-dimeth­yl{2-[1-phenyl-1-(pyridin-2-yl)eth­oxy]eth­yl}aza­nium (R,R)-3-carb­oxy-2,3-dihy­droxy­propano­ate), C₁₇H₂₃N₂O⁺·C₄H₅O₆⁻, the doxylaminium cation is protonated at the N atom. The tartrate monoanions are linked by short, almost linear O—H...O hydrogen bonds into chains extended along [100]. These chains are inter­linked by anion–pyridine O—H...N hydrogen bonds into a two-dimensional grid structure. WeakC—H...O inter­actions also play a role in the crystal packing. An intra­molecular hy­droxy–carboxyl­ate O—H...O hydrogen bond influences the conformation of the anion: the hydrogen-bonded fragment is almost planar, the maximum deviation from the mean plane being 0.059 (14) Å. In the cation, the aromatic rings are almost perpendicular [dihedral angle = 84.94 (8)°] and the conformation of the O—C—C—N chain is gauche(−), the dihedral angle is −76.6 (2)°. The absolute configuration was assigned on the basis of known chirality of the parent compound.

Cinnarizinium 3,5-dinitro­salicylate

The title compound [systematic name: 4-diphenyl­methyl-1-(3-phenylprop-2-en-1-yl)-piperazin-1-ium 2-carb­oxy-4,6-dinitro­pheno­late], C₂₆H₂₉N₂⁺·C₇H₃N₂O₇⁻, is the dinitro­salicylate salt of a tertiary amine. Deprotonation of the carb­oxy­lic acid group occurred on the phenolic hy­droxy group. The diaza­cyclo­hexane ring adopts a chair conformation. Intra­molecular O—H...O and inter­molecular C—H...O and N—H...O hydrogen bonds are observed. The N—H...O hydrogen bonds are bifurcated at the H atom and connect the cinnarizinium and 3,5-dinitro­salicylate ions together. Inter­molecular C—H...O hydrogen bonds connect the components into layers perpendicular to the crystallographic a axis.

4-[Bis(4-fluoro­phen­yl)meth­yl]piperazin-1-ium 2-hy­droxy­benzoate 2-hy­droxy­benzoic acid monosolvate

The title compound, C₁₇H₁₉F₂N₂⁺·C₇H₅O₃⁻·C₇H₆O₃, is a co-crystal from 4-[bis­(4-fluoro­phen­yl)meth­yl]piperazin-1-ium, salicylate anion and salicylic acid in a 1:1:1 ratio. In addition to an intra­molecular O—H...O hydrogen bond, the crystal packing shows hydrogen bonds between the piperazinium cation and salicylate anion (N—H...O), as well as between the salicylic acid mol­ecule and anion (O—H...O), giving rise to a three-dimensional network.

1-{4-[Bis(4-fluoro­phen­yl)meth­yl]piperazin-1-yl}ethanone

In the title compound, C₁₉H₂₀F₂N₂O, the six-membered piperazine group adopts a slightly distorted chair conformation. The dihedral angle between the mean planes of the two benzene rings is 73.4 (6)°. The mean plane of the ethanone group is twisted from the mean planes of the two benzene rings by 66.7 (8) and 86.2 (6)°. In the crystal, C—H...O and C—H...F inter­actions link the molecules, forming a three-dimensional structure.

1-[Bis(4-fluoro­phen­yl)meth­yl]piperazine

In the title mol­ecule, C₁₇H₁₈F₂N₂, the dihedral angle between the benzene rings is 73.40 (3)°. The piperazine ring is close to an ideal chair conformation and the N—H hydrogen is in an equatorial position. In the crystal, molecules are linked via weak C—H...F hydrogen bonds.

(3-Chloro­prop­yl)triphenyl­phospho­nium bromide

The title compound, C₂₁H₂₁ClP⁺Br⁻, is the bromide salt of a mixed aryl-alkyl phospho­nium cation. C–P–C angles span a range of 107.20 (10)–111.18 (10)°. The non-H atoms of the 3-chloro­propyl group adopt a staggered conformation [C–C–C–Cl torsion angle: −72.0 (3)°]. In the crystal, C—H...Br contacts connect the entities of the title compound into a double zigzag chain along b. These chains are linked into a supra­molecular layer lying parallel to (10-1) by C—H...π inter­actions.