Calcium octa­ammine dichloride

The crystal structure of calcium octa­ammine dichloride has been redetermined based on synchrotron powder X-ray diffraction data, leading to more reasonable N⋯N distances.

Bis[μ-2-(tri­methyl­silyl­amido)-6-(tri­methyl­silyl­amino)­pyridine-κ³N¹,N²:N²]bis­[(di­ethyl ether-κO)lithium(I)]

A lithium cation is coordinated by 2,6-bis­(tri­alkyl­silyl­amino)­pyridine and diethyl ether and forms a centrosymmetric dimer.

Bis­(penta­fluoro­benzene­thiol­ato-κS){(penta­fluoro­phen­yl)phenyl­[3,4,5,6-tetra­fluoro-2-(penta­fluoro­phenyl­sulfanyl)phen­yl]phosphane-κ²P,S}platinum(II) di­chloro­methane hemisolvate

In the solvated title complex, the metal atom is coordinated by two cis thiol­ate ligands and one chelating P/S ligand.

Bis(μ-di­ethyl sulfide-κ²S:S)bis­[(bi­phenyl-2,2′-di­yl)platinum(ll)]

A C₄S₂ donor set from bridging diethyl sulfide and biphenyl-2,2′-diyl ligands defines a distorted square-planar geometry about the Pt^II atoms in a binuclear Pt₂unit, with very small deviations from planarity.

catena-Poly[[(2,2′-bi­pyridine-κ²N,N′)lead(II)]-di-μ-bromido]

The title compound is polymeric, with Pb^II atoms bridged by bromide ligands into chains extending parallel to [001].

Aqua­(4-bromo­benzoato-κO)bis­(1,10-phenanthroline-κ²N,N′)manganese(II) 4-bromo­benzoate dihydrate

In the Mn^II cation adopts a distorted octa­hedral geometry. The crystal structure is stabilized by O—H⋯O, O—H⋯Br and C—H⋯O hydrogen bonds and π–π stacking inter­actions.

Ethyl 13-(4-chloro­phen­yl)-11-methyl-6-oxo-5-phenyl-8-thia-3,4,5,10-tetra­aza­tri­cyclo­[7.4.0.0^2,7]trideca-1(9),2(7),3,10,12-penta­ene-12-carboxyl­ate

In the title mol­ecule, the central tricyclic moiety is twisted slightly, as indicated by the dihedral angles of 4.86 (5) and 0.97 (6)°, respectively, between the five-membered ring and the C₃N₃ and pyridyl rings.

Benzimidazolium L-aspartate

In the title mol­ecular salt, the benzimidazole ring of the cation is protonated at its N atom and the L-aspartate zwitterion anion is deprotonated at an O atom. In the crystal, the anions are linked via three N—H⋯O hydrogen bonds involving the NH₃⁺ group, forming layers parallel to the ab plane. The benzimidazolium cations are linked to these layers by N—H⋯O hydrogen bonds. The layers are linked via C—H⋯O hydrogen bonds, forming a three-dimensional structure. There are also C—H⋯π inter­actions present involving inversion-related benzimidazolium cations.

Di­ethyl 2,6-di­methyl-4-(naphthalen-1-yl)-1,4-di­hydro­pyridine-3,5-di­carboxyl­ate

The mol­ecular and crystal structure of diethyl 2,6-dimethyl-4-(naphthalen-1-yl)-1,4-di­hydro­pyridine-3,5-di­carboxyl­ate is reported.

4,6-Di­chloro-1H-indole-2,3-dione

In the structure of 2,6-di­chloro-1H-indole-2,3-dione, N—H⋯O hydrogen bonds link the mol­ecules into [100] chains.

N-(5-Chloro-2-hy­droxy­phen­yl)-N′-(3-hy­droxy­prop­yl)oxalamide

The structure of the title oxamide complex is reported. The crystal structure is stabilized by classical O—H⋯O and N—H⋯O hydrogen bonds.

5-Benzoyl-2-(5-bromo-1H-indol-3-yl)-4-(4-meth­oxy­phen­yl)-1H-pyrrole-3-carbo­nitrile

In the title compound, the indole and central pyrrole rings are inclined to one another by 13.15 (15)°. In the crystal, mol­ecules are linked by pairs of N—H⋯N hydrogen bonds, forming inversion dimers with (16) loops.

(E)-2-Phenyl-N-(thio­phen-2-yl­methyl­idene)imidazo[1,2-a]pyridin-3-amine

The asymmetric unit contains two independent mol­ecules, slightly inclined to each other. In the crystal, mol­ecules are inter­connected by hydrogen bonds and C—H⋯π inter­actions.

(E)-4-Hy­droxy-6-methyl-3-[1-(2-phenyl­hydrazinyl­idene)eth­yl]-2H-pyran-2-one

The title compound crystallized with three independent mol­ecules in the asymmetric unit. In the crystal, a number of hydrogen bonds link the mol­ecules to form layers, parallel to the ab plane, that enclose (8) and (22) ring motifs.

4-(3-Bromo­prop­yloxy)-1-hy­droxy-9,10-anthra­quinone

In the mol­ecule, the anthra­quinone ring system is slightly bent. The sole hydrogen-bond donor is bifurcated; in the mol­ecule an intra­molecular O—H⋯O hydrogen bond encloses an S(6) ring motif while in the crystal, pairs of O—H⋯O hydrogen bonds connect mol­ecules into centrosymmetric dimers with an (12) ring motif.

N′-[(E)-4-Methyl­benzyl­idene]pyridine-4-carbo­hydrazide monohydrate

Hydrogen-bonded sheets occur in the crystal of the title hydrazone hydrate.

2-Amino-6-methyl­pyridinium 2-hy­droxy­benzoate

In the title mol­ecular salt, the pyridine ring of the cation is protonated at its N atom and the anion is deprotonated at an O atom. In the crystal, the ions are linked via three N—H⋯O hydrogen bonds into tetra­mers.

4-Benzyl-2-(4-chloro­benzyl­idene)-3,4-di­hydro-2H-1,4-benzo­thia­zin-3(4H)-one

In the crystal of the title compound, pairwise C—H⋯O hydrogen bonds form dimers which stack along the b-axis direction.

6-Bromo-2-(4-chloro­phen­yl)-3-methyl-3H-imidazo[4,5-b]pyridine

The imidazo­pyridine moiety shows an r.m.s. deviation from planarity of 0.006 (19) Å. The dihedral angle between this plane and that of the 4-chloro­phenyl group is 29.32 (8)°.

Ethyl 2-(6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridin-1-yl)acetate

In the crystal, C—H⋯N hydrogen bonds link the mol­ecules into inversion dimers. The dimers are linked into columns along the b-axis direction via weak C—H⋯N contacts.

Benzo[4,5]imidazo[2,1-b]thia­zole-2-carbaldehyde

The title compound is planar, with an r.m.s. deviation of 0.021 Å for all the non-H atoms. In the crystal, mol­ecules are linked via a pair of C—H⋯O hydrogen bonds forming inversion dimers with an (6) ring motif.

5-Methyl-N′-[(Z)-4-methyl­benzyl­idene]-1H-pyrazole-3-carbohydrazide

The title 1-H-pyrazole-3-carbohydrazide mol­ecule shows a slight twist from end to end. The packing features N—H⋯N and bifurcated N—H⋯(N,O) hydrogen bonds, which generate (010) sheets.

2-Amino-3-((E)-{[3-(tri­fluoro­meth­yl)phen­yl]imino}­meth­yl)-4H-chromen-4-one

In the title compound, the dihedral angle between the chromene ring system and benzene ring is 19.19 (6)° and an intra­molecular N—H⋯N hydrogen bond closes an S(6) ring. In the crystal, mol­ecules are linked into [100] C(6) chains by N—H⋯O hydrogen bonds.

Ethyl 2-(3,5-di­fluoro­phen­yl)quinoline-4-carboxyl­ate: a second triclinic polymorph

The mol­ecular and crystal structure of a second triclinic polymorph of ethyl 2-(3,5-di­fluoro­phen­yl)quinoline-4-carboxyl­ate is reported. The crystal structure is stabilized by C–H⋯O hydrogen bonds together with C—F⋯π and π–π inter­actions.

6-Bromo-2-methyl-1H-imidazo[4,5-b]pyridine

Both mol­ecules in the asymmetric unit of 5-bromo-2-methyl-1H-imidazo[4,5-b]pyridine lie on a crystallographic mirror plane.

D-(−)-2-Aza­niumyl-2-(4-hy­droxy­phen­yl)acetate: an ortho­rhom­bic polymorph

The crystal structure of an ortho­rhom­bic polymorph of D-(-)-2-aza­niumyl-2-(4-hy­droxy­phen­yl)acetate is reported. The crystal structure features N—H⋯O, O—H⋯O and C—H⋯π hydrogen bonds.

(3,5-Di­methyl-1H-pyrrol-2-yl)(phen­yl)methanone

In the title compound, C₁₃H₁₃NO, the pyrrole ring has a methyl group at the 3- and 5-positions. Classical N—H⋯O hydrogen bonds generate a one-dimensional structure.

5-Bromo-1-nonylindoline-2,3-dione

In the title compound, the indoline ring system, the ketonic atoms and the Br atom are nearly coplanar (r.m.s. deviation = 0.029 Å), and the nonyl side chain has an extended conformation. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds forming slabs parallel to (010).

3-Carb­oxy-2-(piperidin-1-ium-1-yl)propano­ate

In the zwitterionic title compound, the piperidinium N atom is protonated and the OH group of one of the carboxyl­ate groups is deprotonated. The crystal structure is stabilized by O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds.

3′,6′-Bis(di­ethyl­amino)-2-(prop-2-yn­yl)spiro[isoindoline-1,9′-xanthen]-3-one

In the title compound, the spiro­pyrrolidine ring adopts a twisted conformation on the C_spiro—N bond, whereas the tetra­hydro­pyran ring adopts a sofa confirmation. The pyrrolidine and tetra­hydro­pyran rings are normal to one another with a dihedral angle of 89.1 (2)° between their mean planes.

4-Methyl-N-(4-methyl­pyridin-2-yl)-N-(3,4,5,6-tetra­hydro-2H-pyran-4-yl)pyridin-2-amine

In the crystal structure of the title compound, the pyridine rings make a dihedral angle of 84.44 (5)°.

(1S,3R,8R,11S)-2,2,11-Tri­bromo-10-bromo­methyl-3,7,7-tri­methyl­tri­cyclo­[6.4.0.0^1,3]dodec-9-ene

The absolute configuration of the title compound, (1S,3R,8R,11S)-2,2,11-tri­bromo-10-bromo­methyl-3,7,7- tri­methyl­tri­cyclo­[6.4.0.0^1,3]dodec-9-ene, was deduced from the synthetic pathway and confirmed by resonant scattering [Flack parameter = 0.012 (10)].

(E)-1-(Pyridin-4-yl)propan-1-one oxime

The crystal structure of the title compound contains two crystallographically independent mol­ecules of slightly different conformation, which are linked via an inter­molecular O—H⋯N hydrogen bond. The dihedral angles between the pyridine ring and the oxime plane are 2.09 (19) and 16.50 (18)°.

N′-[(1E)-4-Bromo­benzyl­idene]-5-phenyl-1H-pyrazole-3-carbohydrazide

In C₁₇H₁₃BrN₄O, the dihedral angles between the pyrazole ring and the pedant phenyl and bromo­benzene rings are 21.61 (11) and 28.09 (11)°, respectively. In the crystal, N—H⋯O hydrogen bonds link the mol­ecules into [010] chains, which are reinforced by C—H⋯O inter­actions.

Piperazin-1-ium 4-amino­benzoate monohydrate

In the title hydrated salt, one NH group of the piperazinium ring is protonated while the OH group of the carb­oxy­lic acid substituent of 4-amino­benzoic acid is deprotonated. The crystal structure is stabilized by N—H⋯N, N—H⋯O and O—H⋯O hydrogen bonds.

2-Methyl­pyridinium 2-carb­oxy­benzoate–benzene-1,2-di­carb­oxy­lic acid (2/1)

The title compound is a co-crystal of the 2-methyl­pyridinium 2-carb­oxy­benzoate salt and a benzene-1,2-di­carb­oxy­lic acid mol­ecule. In the salt, the pyridine N atom is protonated and the OH group of one of the carb­oxy­lic acid substituents of a benzene-1,2-di­carb­oxy­lic acid is deprotonated. The crystal structure is stabilized by N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds.

1,3-Dimeth­oxy-2-methyl­imidazolium bis­(tri­fluoro­methane­sulfon­yl)imide

The ions of the title compound display inter­ionic O⋯π inter­actions.

5-Bromo-1-methyl­indoline-2,3-dione

Besides the methyl H atoms, all atoms of the structure of 5-bromo-1-methyl­indoline-2,3-dione are almost coplanar. The mol­ecules are linked by hydrogen bonds and by π–π inter­actions.

2-Amino-4-meth­oxy-6-methyl­pyrimidinium hydrogen phthalate

In the crystal of 2-amino-4-meth­oxy-6-methyl­pyrimidinium hydrogen phthalate, the protonated N atom of the pyrimidine ring and the 2-amino group of the cation are hydrogen bonded to the carboxyl­ate O atoms of the phthalate anion via a pair of N—H⋯O hydrogen bonds, forming an (8) ring motif.

6b-Hy­droxy-17-methyl-15-(3-nitro­phen­yl)-6b,7,16,17-tetra­hydro-7,14a-methanona­phtho[1′,8′:1,2,3]pyrrolo­[3′,2′:8,8a]azuleno[5,6-b]quinolin-14(15H)-one di­chloro­methane hemisolvate

In the title compound, the pyrrolidine ring mean plane makes dihedral angles of 40.09 (11), 69.21 (10) and 80.88 (8)° with the mean planes of the cyclo­pentane, cyclo­hexane and ace­naphthyl­ene rings, respectively, and the 3-nitro­benene ring is inclined to the ace­naphthyl­ene and quinoline ring systems by 69.32 (8) and 82.07 (7)°, respectively.

1-(3′,6′-Dihy­droxy-3-oxo-3H-spiro­[isobenzo­furan-1,9′-xanthen]-5-yl)-3-[4-({4-[1-(4-fluoro­phen­yl)-1H-imidazol-5-yl]pyridin-2-yl}amino)­phen­yl]thio­urea methanol monosolvate

The isobenzo­furan fused-ring system is close to planar and orientated almost perpendicular to the central ring of the xanthene system. The dihedral angle between the benzene rings of the xanthene system is 10.0 (2)°, indicating a butterfly-like orientation. A short intra­molecular C—F⋯π contact to the six-membered ring of the isobenzo­furan system may influence the mol­ecular conformation.

(E)-4-Meth­oxy-N′-(2,4,5-tri­fluoro­benzyl­idene)benzohydrazide monohydrate

The title Schiff base compound is almost planar, with the dihedral angle between the planes of the meth­oxy­benzene and tri­fluoro­benzyl­idene rings being 7.46 (6)°. In the crystal, mol­ecules are linked by a series of O—H⋯O, O—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds, forming chains propagating along [100].