Di­chlorido[(1,2,3,3a,8b-η)-2,4-di­methyl­cyclo­penta­[b]indol­yl)(η⁵-penta­methyl­cyclo­penta­dien­yl)zirconium(IV)

In the structure of (η⁵-2,4- di­methyl­cyclo­penta­[b]indol­yl)(η⁵-penta­methyl­cyclo­penta­dien­yl)zirconium(IV) dichloride, the dihedral angle between the planes of rings coordinated to Zr is 51.6 (2)°.

A new alkaline earth metal tetra­fluoro­terephthalate: [Ba(tfBDC)(DMF)(EtOH)]

The coordination polymer [Ba(tfBDC)(DMF)(EtOH)] has been synthesized by a diffusion controlled synthesis from EtOH/DMF solution (tfBDC²⁻ = tetra­fluoro­terephthalate). BaO₈ polyhedra are connected by bridging tfBDC²⁻ ligands to form a three-dimensional network structure.

Bis­(di­methyl­amido-κN)bis­[2-(pyrrol-2-yl­methyl­ene­amino)-2′-meth­oxy-6,6′-di­methyl-1,1′-bi­phenyl-κ²N,N′]vanadium(IV) toluene monosolvate

In the title complex, the vanadium(IV) cations are coordinated by two monoanionic bidentate Schiff base ligands and two N atoms of two di­methyl­amide anions, forming distorted octa­hedral complexes.

{6,6′-Di­methyl-2,2′-bis­[(2-oxido­benzyl­idene)amino]-1,1′-bi­phenyl-κ⁴O,N,N′,O′}bis­(propan-2-olato-κO)titanium(IV) n-hexane hemisolvate

In the crystal structure of the title compound, the Ti^IV atoms are coordinated by a dianionic tetra­dentate Schiff base ligand and two O atoms of two isopropoxide anions, forming a distorted octa­hedral coordination sphere.

1,4-Bis[3,11-di­thiatri­cyclo­[11.3.1.1^5,9]octa­deca-1(17),5,7,9(18),13,15-hexaen-7-yl]buta-1,3-diyne

1,4-[4-(9,17-Di­thia­[3.3]meta­cyclo­phane)]-1,3-butadiyne is generated by a crystallographic inversion centre at the mid-point of the central C—C bond. Both cyclo­phane units exist in cisoid pseudo-boat–chair chair–boat conformations. In the crystal, the mol­ecular packing is controlled by van der Waals inter­actions.

(E)-1-(4-Amino­phen­yl)-3-[4-(benz­yloxy)phen­yl]prop-2-en-1-one

The title compound, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. Both mol­ecules have an E conformation about the C=C bond of the prop-2-en-1-one unit. In the crystal, the two mol­ecules are linked by an N—H⋯O hydrogen bond.

4-Meth­oxy-N,N′-di­phenyl­benzamidinium nitrate

The mol­ecular and crystal structures of the protonated N,N′-diphenyl-4-meth­oxy­benzamidine derivative are reported as a nitrate salt.

2-Amino-4-methyl­pyridinium 4-methyl­benzoate

Hydrogen-bonded chains propagating along [001] occur in the crystal of the title salt.

2-(2-Aza­bicyclo­[3.2.1]octa-3,6-dien-2-yl)-1,3-di­meth­oxy­imidazolium hexa­fluorido­phosphate

The meth­oxy groups attached to the imidazolium ring of the cation adopt an anti conformation. In the crystal, weak inter-ionic C—H⋯F contacts are observed.

3-(2,4-Di­fluoro­phen­yl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one

The title 13-membered benzo[4,5]imidazo[1,2-d][1,2,4]triazine fused-ring system (r.m.s. deviation = 0.028 Å), makes a dihedral angle of 53.13 (7)° with the attached di­fluoro­phenyl ring and 79.98 (7)° with the attached pyridine ring. The crystal packing features aromatic π–π inter­actions between the 13-membered rings [shortest distance between ring centroids = 3.5682 (8) Å].

2-Amino-4-methyl­pyridinium 4-hy­droxy­benzoate

The cation is protonated at the pyridine N atom and the anion is deprotonated. In the crystal, N—H⋯O and O—H⋯O hydrogen bonds and C—H⋯O inter­actions link the components into a three-dimensional network.

(RS)-Efonidipine acetone hemisolvate

In both the R- and S-efonidipine mol­ecules, the six-membered rings of the dioxaphosphinanyl moieties display a chair conformation and the di­hydro­pyridine rings display a flattened boat conformation. In the crystal, N—H⋯O, C—H⋯O hydrogen bonds and weak C—H⋯π inter­actions link the mol­ecules into a three-dimensional supra­molecular structure.

2-Amino-4-methyl­pyridinium 2-hy­droxy­benzoate

The title salt contains two cations and two anions in the asymmetric unit. In the crystal, N—H⋯O hydogen bonds link the components into [010] chains, which feature (8) loops. The crystal structure is consolidated by weak C—H⋯O and π–π inter­actions, forming a three-dimensional network.

2-Amino-4-methyl­pyridin-1-ium 2-(4-nitro­phen­yl)acetate

The cation is protonated at the pyridine N atom and the anion is deprotonated at the hydroxyl O atom. The mol­ecular structure is stabilized by weak N—H⋯O hydrogen bonds and the crystal structure features N—H⋯O, hydrogen bonds, C—H⋯O and C—H..π inter­actions.

Butyl 2-[(azido­carbon­yl)amino]­benzoate

The mol­ecular and crystal structure of butyl 2-[(azido­carbon­yl)amino]­benzoate is reported. The crystal packing is stabilized by C—H⋯π hydrogen bonds and offset π–π stacking inter­actions.

4-Fluoro-N-methyl-N-nitro­aniline

Nitramines have received considerable inter­est from organic chemists due to the large reactivity. The title compound was prepared by nitration of 4-fluoro-N-methyl­nitramine. In the crystal, mol­ecules are connected by weak C—H⋯F and C—H⋯O bonds.

(E)-N,N′-(1,2-Di­cyano­ethene-1,2-di­yl)dipicolin­amide

The whole mol­ecule of the title di­cyano­ethene derivative is generated by inversion symmetry. The pyridine ring is inclined to the plane of the di­cyano­ethene unit (N≡C—C=C—C≡N) by 20.2 (4)°. In the crystal, mol­ecules are linked by C—H⋯O and C—H⋯N hydrogen bonds, forming sheets parallel to (11), and enclosing (10), (22) and (22) ring motifs.

Histamine perchlorate

The perchlorate salt of the histamine dication crystallizes in the monoclinic space group P2₁/c with two formula units in the asymmetric unit. One of the histidine dications is disordered and two of the four perchlorate anions are disordered.

2-Amino­pyridinium 2,4-di­nitro­phenolate

In the title organic salt complex, the cations are protonated at the pyridine N atoms and the anions are deprotonated at the hydroxyl O atoms. The crystal structure is formed by N—H⋯O and weak C—H⋯O hydrogen bonds, completed by π–π inter­actions.

N,N,N-Tri­ethyl­ethanaminium 5,11,17,23-tetra-tert-butyl-25-[(eth­oxy­carbon­yl)­meth­oxy]-26,28-dihy­droxy-27-oxido-2,8,14,20-tetra­thia­calix[4]arene: a mol­ecular salt

In the title mol­ecular salt, the conformation of the anionic tetra­thia­calix[4]arene, which is cone-shaped, is primarily determined by intra­molecular O—H⋯O hydrogen bonds.

5,6-Bis(pyridin-2-yl)-2,3-di­hydro­pyrazine

The di­hydro­pyrazine ring of the title compound has a screw-boat conformation. The two pyridine rings are inclined to the mean plane of the di­hydro­pyrazine ring by 30.78 (11) and 39.37 (9)°, and to one another by 62.53 (10)°.

4,7-Di­chloro-1H-indole-2,3-dione

The crystal structure of 4,7-di­chloro-1H-indole-2,3-dione is reported. In the crystal, mol­ecules are linked by N—H⋯O, C—H⋯O and π–π inter­actions.

Ethyl 3-amino-2-carbamoyl-4-(4-meth­oxy­phen­yl)-6-methyl­thieno[2,3-b]pyridine-5-carboxyl­ate di­methyl sulfoxide monosolvate

In the crystal struture of the title compound, mol­ecules are linked by pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an (8) ring motif. Within the dimers, which stack along the a-axis direction, there is a weak π–π inter­action [centroid-to-centroid distance = 3.5428 (11) Å] involving inversion-related thio­phene rings.

(E)-2-[(2,3-Di­bromo­all­yl)sulfan­yl]-1-methyl-1H-imidazol-3-ium bromide

The synthesis and crystal structure of the title imidazolium salt are reported.

4-{(1E,3E)-4-[4-(Di­methyl­amino)­phen­yl]buta-1,3-dien-1-yl}-1-methyl­pyridin-1-ium iodide

The asymmetric unit of the title mol­ecular salt comprises a pyridinium cation and an I⁻ anion. The cation exists in an E,E conformation with respect to the two C=C bonds, and is relatively planar with the pyridinium ring being inclined to the benzene ring by 10.8 (2) °.

2-(6-Methyl-1-benzo­furan-3-yl)acetic acid

The asymmetric unit of the title compound, contains two crystallographically independent mol­ecules (A and B) with nearly matching conformations [r.m.s. overlay fit for the non-hydrogen atoms = 0.011 (1) Å]. The two mol­ecules are linked by a pair of O—H⋯O hydrogen bonds, enclosing an (8) ring motif, and forming an A–B dimer.

(4Z)-1-Benzyl-4-(2-oxo­propyl­idene)-2,3,4,5-tetra­hydro-1H-1,5-benzodiazepin-2-one

The title compound, C₁₉H₁₈N₂O₂, crystallizes with two independent mol­ecules in the asymmetric unit which differ significantly in conformation. The two mol­ecules are linked via C—H⋯O hydrogen bonds, forming dimers which pack in rows approximately parallel to the c axis.

tert-Butyl 2,3-di­hydro-1H-cyclo­penta­[b]indole-4-carboxyl­ate

The title mol­ecule is essentially planar and contains one of the three methyl groups from the tert-butyl group within the plane. A mirror plane through the plane of the mol­ecule allows the third methyl group outside the plane to be symmetrically generated opposite the second one.

2-Methyl-N-(pyrazin-2-yl)propanamide–1,2,4,5-tetra­fluoro-3,6-di­iodo­benzene (2/1)

Pyrazine compounds have received considerable inter­est from organic chemists due to their large reactivity. The title compound was obtained by reaction of 2-amino­pyrazine with isobutyryl chloride. In the crystal, mol­ecules are connected by I⋯N halogen bonds.

N,N-Di­cyclo­hexyl­nitramine

The N—N bond length in the title compound indicates significant double-bond character. In the crystal, mol­ecules are connected by C—H⋯O hydrogen bonds, forming zigzag chains.

(E)-2-[(2-Butyl-4-chloro-1H-imidazol-5-yl)methyl­idene]-N-methyl­hydrazine-1-carbo­thio­amide monohydrate

In the crystal title compound, a thio­semicarbazide derivative, mol­ecules are linked via O—H⋯N and N—H⋯O hydrogen bonds, forming chains along [001]. The chains are linked by O—H⋯S and N—H⋯S hydrogen bonds, forming a three-dimensional framework.

4-Methyl­anilinium 3-carb­oxy-2-hy­droxy­propano­ate

The cation is protonated at the amine N atom and the anion is deprotonated at one of the carb­oxy­lic acid hy­droxy groups. The crystal structure features weak N—H⋯O and O—H⋯O hydrogen bonds.

(E)-4-Meth­oxy-N′-(2,3,4-tri­meth­oxy­benzyl­idene)benzohydrazide monohydrate

The crystal structure of the title compound features N—H⋯O and O—H⋯O hydrogen bonds, and C—H⋯O and C—H⋯π inter­actions.

5,7-Di­chloro-1H-indole-2,3-dione

In the structure of 5,7-di­chloro-1H-indole-2,3-dione, the mol­ecules dimerize through two N—H⋯O hydrogen bonds.