1-[2-(Carboxymethoxy)phenyl]-N-(4-chlorophenyl)methanimine oxide

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A kryptoracemic salt: 2-{[2,8-bis(trifluoromethyl)quinolin-4yl](hydroxy)methyl}piperidin-1-ium (+)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

The asymmetric unit of the title salt, C17H17F6N2O+·C10H8F3O3-, comprises two piperidin-1-ium cations and two carboxyl­ate anions. The cations, each having an L-shaped conformation owing to the near orthogonal relationship between the quinolinyl and piperidin-1-ium residues, are pseudo-enanti­omeric. The anions have the same absolute configuration but differ in the relative orientations of the carboxyl­ate, meth­oxy and benzene groups. Arguably, the most prominent difference between the anions occurs about the Cq-Om bond as seen in the Cc-Cq-Om-Cm torsion angles of -176.1 (3) and -67.1 (4)°, respectively (q = quaternary, m = meth­oxy and c = carboxyl­ate). The presence of Oh-H...Oc and Np-H...Oc hydrogen bonds leads to the formation of a supra­molecular chain along the a axis (h = hy­droxy and p = piperidin-1-ium); weak intra­molecular Np-H...Oh hydrogen bonds are also noted. Chains are connected into a three-dimensional architecture by C-H...F inter­actions. Based on a literature survey, related mol­ecules/cations adopt a uniform conformation in the solid state based on the letter L

1-(4-Methyl­phen­yl)-3-phenyl-1H-pyrazol-5-yl 4-nitro­benzene­sulfonate

In the title mol­ecule, C22H17N3O5S, the pyrazole ring is planar (r.m.s. deviation = 0.018 Å) and forms dihedral angles of 21.45 (10) and 6.96 (10)° with the N- and C-bound benzene rings, respectively. Supra­molecular layers in the bc plane are formed in the crystal via C—H⋯O and π–π inter­actions involving the sulfonamide benzene ring inter­acting with the N- and C-bound benzene rings [centroid–centroid distances = 3.790 (2) and 3.730 (2) Å, respectively]. The crystal studied was found to be a merohedral twin (twin law 1 0 0.678, 0 -1 0, 0 0 -1), the fractional contribution of the minor component being approximately 36%

Bis[1-(isopropyl­ideneamino)guanidinium] bis­(3-nitro­benzoate) monohydrate

The asymmetric unit of the title salt hydrate, 2C4H11N4 +·2C7H4NO4 −·H2O, comprises two independent 1-(isopropyl­ideneamino)guanidinium cations, two independent 3-nitro­benzoate anions and a water mol­ecule of crystallization. There are minimal geometric differences between the two planar [maximum deviations 0.061 (2) and 0.088 (2) Å] cations, and between the two almost planar anions [C–C–C–O and C–C–N–O torsion angles of 0.3 (3) and 11.1 (4) °, respectively in the first anion and −173.7 (2) and −0.1 (4), respectively in the second anion]. Extensive O—H⋯O and N—H⋯O hydrogen bonding between all components of the structure leads to the formation of a two-dimensional array with an undulating topology in the bc plane

Racemic mefloquinium chlorodifluoroacetate: Crystal structure and Hirshfeld surface analysis

In the racemic title molecular salt, C17H17F6N2O+.C2ClF2O3 -(systematic name:2-{[2,8-bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium chlorodifluoroacetate), the cation, which is protonated at the piperidine N atom, has the shape of the letter, L, with the piperidin-1-ium group being approximately orthogonal to the quinolinyl residue [the Cq—Cm—Cm–Na (q = quinolinyl; m = methine; a = ammonium) torsion angle is 177.79 (18)⁰]. An intramolecular, charge-assisted ammonium-N—H...O(hydroxyl) hydrogen bond ensures the hydroxy-O and ammonium-N atoms lie to the same side of the molecule [Oh—Cm—Cm—Na (h = hydroxyl) = -59.7 (2)⁰]. In the crystal, charge-assisted hydroxyl-O—H...O-(carboxylate) and ammonium-N+—H...O-(carboxylate) hydrogen bonds generate a supramolecular chain along [010]; the chain is consolidated by C—H...O interactions. Links between chains to form supramolecular layers are of the type C—Cl...π(quinolinyl-C6) and the layers thus formed stack along the a-axis direction without directional interactions between them. The analysis of the calculated Hirshfeld surface points to the dominance of F...H contacts to the surface (40.8%) with significant contributions from F...F (10.5%) and C...F (7.0%) contacts

(Dimethyl sulfoxide-κO)di­phenyl­(3-thioxo-3H-1,2-dithiole-4,5-dithiol­ato-κ2 S 4,S 5)tin(IV)

The Sn atom in the title compound, [Sn(C6H5)2(C3S5)(C2H6OS)], exists within a distorted trigonal-bipyramidal geometry defined by two S atoms of the 1,2-dithiole-3-thione-4,5-dithiol­ate dianion, two ipso-C atoms from the phenyl groups, and the O atom of the dimethyl sulfoxide mol­ecule. In this description, one of the S atoms and the O occupy axial positions. In the crystal, centrosymmetrically related mol­ecules associate via pairs of C—H⋯S contacts, forming dimeric aggregates

Crystal Structure of the Chiral Azomethine Imine, (Z)-(S)-4-(tert-Butylcarbonylamino)-2-(2-methoxybenzylidene)-5-oxopyrazolidin-2-ium-1-ide, Obtained by the Cyclization of tert-Butyl (S)-2-[2-(methoxybenzylidene)hydrazine]-1-(hydroxymethyl)-2-oxocarbamate

Open Access via Springer Compact Agreement. The use of the NCS crystallographic service at Southampton and the valuable assistance of the staff there are gratefully acknowledged. JLW thanks FAPERJ and CNPq, Brazil for support.Peer reviewedPublisher PD

Bis(2-ethoxy­carbonyl­ethyl-κ2 C 1,O)(2-thioxo-1,3-dithiole-4,5-dithiol­ato-κ2 S 4,S 5)tin(IV)

In the title compound, [Sn(C5H9O2)2(C3S5)], the immediate environment around the Sn centre is defined by two S and two C atoms that define an approximately tetra­hedral geometry. The close approach of the pendant carbonyl O atoms [Sn—O = 2.577 (3) and 2.573 (3) Å] increases the coordination number to six. Supra­molecular chains are formed along the a axis in the crystal structure owing to the presence of C—H⋯O contacts

4-[(2-Chloro­ethyl)amino]quinolinium chloride monohydrate

In the title salt hydrate, C11H12ClN2 +·Cl−·H2O, the quinolin­ium core is essentially planar (r.m.s. deviation = 0.027 Å) with the chloro­ethyl side chain being almost orthogonal to the core [C—N—C—C torsion angle = −80.0 (3)°]. In the crystal packing, the water mol­ecule bridges three species, forming donor inter­actions to two chloride anions and accepting a hydrogen bond from the quinolinium H atom. The chloride anion accepts a hydrogen bond from the amine N atom with the result that a two-dimensional supra­molecular array is formed in the ac plane. A C—H⋯Cl interaction also occurs