Pyrimidine-2,4-diamine acetone monosolvate

In the title compound, C₄H₆N₄·C₃H₆O, the pyrimidine-2,4-diamine mol­ecule is nearly planar (r.m.s. deviation = 0.005 Å), with the endocyclic angles covering the range 114.36 (10)–126.31 (10)°. In the crystal, N—H...N and N—H...O hydrogen bonds link the mol­ecules into ribbons along [101], and weak C—H...π inter­actions consolidate further the crystal packing.

Dichloridobis(pyridine-2-seleno­lato-κ²N,Se)tin(IV)

The title compound, [SnCl₂(C₅H₄NSe)₂], is the product of a reaction of 2,2′-dipyridyl diselenide with tin tetra­chloride. The mol­ecule is located about a twofold rotation axis. The coordination environment of the Sn^IV atom is a distorted octa­hedron, with two bidentate 2-pyridine­seleno­late ligands inclined to each other at an angle of 83.96 (7)°. The two Sn—Cl and two Sn—N bonds are in cis configurations, while the two Sn—Se bonds of 2.5917 (3) Å are in a trans configuration, with an Se—Sn—Se angle of 157.988 (15)°. In the crystal, π–π inter­actions between the pyridine rings [centroid-to-centroid distance of 3.758 (3) Å] and weak inter­molecular C—H...Cl hydrogen bonds link the mol­ecules into chains along the c axis.

3-Bromo-7-meth­oxy-2-phenyl­imidazo[2,1-b][1,3]benzothia­zole

In the title mol­ecule, C₁₆H₁₁BrN₂OS, the central imidazo[2,1-b][1,3]benzothia­zole tricycle is essentially planar (r.m.s. deviation = 0.021 Å). The terminal phenyl ring is twisted at 36.18 (5)° from the mean plane of the tricycle. In the crystal, pairs of eak C—H...O hydrogen bonds link mol­ecules into centrosymmetric dimers, which are further packed into stacks along the a axis.

Ethyl 23-benzyl-8,11,14-trioxa-23,28,29-triaza­penta­cyclo­[19.7.1.0^2,7.0^15,20.0^22,27]nona­cosa-2,4,6,15(20),16,18,21,26-octa­ene-26-carboxyl­ate

The title compound, C₃₃H₃₅N₃O₅, is the product of the multicomponent condensation of 1-benzyl-4-eth­oxy­carbonyl­piperidin-3-one with 1,5-bis­(2-formyl­phen­oxy)-3-oxapentane and ammonium acetate. The mol­ecule comprises a penta­cyclic system containing the aza-14-crown-4-ether macrocycle, tetra­hydro­pyrimidine, tetra­hydro­pyridine and two benzene rings. The aza-14-crown-4-ether ring adopts a bowl conformation with a dihedral angle of 62.37 (5)° between the benzene rings. The tetra­hydro­pyrimidine ring has an envelope conformation with the chiral C atom as the flap, whereas the tetra­hydro­pyridine ring adopts a distorted chair conformation. Two amino groups are involved in intra­molecular N—H...O hydrogen bonds. In the crystal, weak C—H...O hydrogen bonds link the mol­ecules into layers parallel to the ab plane.

rac-(1S*,4aS*,8aS*)-4a-Hy­droxy-2-methyl­perhydro­spiro­[isoquinoline-4,1′-cyclo­hexa­n]-2′-one

In the title compound, C₁₅H₂₅NO₂, all three six-membered rings adopt chair conformations. The cyclo­hexane and piperidine rings within the perhydro­isoquinoline are trans–trans fused. The N atom has a trigonal–pyramidal geometry (the sum of the bond angles is 328.0°). The methyl substituent occupies the sterically preferrable equatorial position. In the crystal, mol­ecules form infinite [100] chains via O—H...N hydrogen bonds.

3-(4-Meth­oxy­phen­yl)-1,3-selenazolo[2,3-b][1,3]benzo­thia­zol-4-ium hydrogen sulfate

The title compound, C₁₆H₁₂NOSSe⁺·HSO₄⁻, was obtained from a mixture of 3-(4-meth­oxy­phen­yl)[1,3]selenazolo[2,3-b][1,3]benzo­thia­zol-4-ium chloride and potassium hydrogen sulfate. In the cation, the benzene ring is twisted by 71.62 (7)° from the tricycle mean plane. In the crystal, O—H...O hydrogen bonds link the anions into chains along [100]. The anions in adjacent chains are linked via weak C—H...O hydrogen bonds. The crystal packing exhibits short inter­molecular contacts between the chalcogen unit and the O atoms: Se...O(anion) 2.713 (3), Se...O(cation) 2.987 (3) and S...O(anion) 2.958 (3) Å.

1-Methyl-3-(2-oxo-2H-chromen-3-yl)-1H-imidazol-3-ium picrate

The title salt, C₁₃H₁₁N₂O₂⁺·C₆H₂N₃O₇⁻, is the unexpected product of a domino reaction of 3-cyano­methyl-1-methyl­imidazolium chloride with salicylic aldehyde in the presence of picric acid. In the cation, the 1H-imidazole ring is twisted by 63.2 (1)° from the 2H-chromen plane. In the crystal, cations and anions are alternately stacked along the a axis through π–π stacking inter­actions between the almost parallel aromatic rings [centroid–centroid distances = 3.458 (2) and 3.678 (2) Å]. The stacks are further linked by C—H...O hydrogen bonds into a two-tier layer parallel to (001).

(E)-1,5-Di­phenyl­pent-2-en-4-yn-1-one

The title compound, C₁₇H₁₂O, has an E conformation about the C=C bond. The C—C[triple bond]C—C torsion angle is 7.7 (2)°, and the mean planes of the phenyl­ethyl­enone [r.m.s. deviation = 0.059 (1) Å] and phenyl­acetyl­ene [r.m.s. deviation = 0.023 (1) Å] fragments form a dihedral angle of 14.16 (7)°. In the crystal, weak C—H...O inter­actions link the mol­ecules into zigzag chains propagated in [010].

(1R*,21S*,22R*,24S*)-Methyl ethyl 2-[23-hy­droxy-22,24-diphenyl-8,11,14-trioxa-25-aza­tetra­cyclo­[19.3.1.0^2,7.0^15,20]penta­cosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate

The title compound, C₄₀H₄₁NO₈, is a product of the reduction of the cyclic carbonyl group of the γ-piperidone subunit of the aza-14-crown-4 ether with subsequent re-esterification of its dimethyl butenoate substituent into a monoethyl monomethyl group. The aza­crown macrocycle exhibits a bowl conformation with a dihedral angle of 70.82 (5)° between the benzene rings fused to it. The piperidine ring adopts a chair conformation and the methyl ethyl ethyl­enedi­carboxyl­ate fragment has a cis conformation, with a dihedral angle of 66.51 (7)° between the two carboxyl­ate groups. The ethyl group is disordered over two sites with occupancies of 0.70 (1):0.30 (1). In the crystal, mol­ecules form inversion dimers, via pairs of O—H...O hydrogen bonds, that stack along the a axis.

2-(Adamantan-1-yl)-N-(6-meth­oxy-1,3-benzo­thia­zol-2-yl)acetamide

The asymmetric unit of the title compound, C₂₀H₂₄N₂O₂S, contains two independent mol­ecules having very similar geometries. The main N-(6-meth­oxy-1,3-benzo­thia­zol-2-yl)acetamide moiety adopts an almost planar structure (r.m.s. deviations of 0.091 and 0.051 Å for the two independent molecules). The adamantyl substituent occupies the gauche position relative to the C—N bond of the acetamide moiety [the corresponding N–C–C–C dihedral angles are −100.3 (3) and −96.5 (3)° for the two independent mol­ecules]. In the crystal, the two independent mol­ecules form a dimer via a pair of N—H...N hydrogen bonds. The dimers are further linked by C—H...O hydrogen bonds and attractive S...S [3.622 (2) Å] inter­actions into ribbons along [100].

rac-Methyl (3aR*,4S*,5R*,7aR*)-5,7a-bis­(acet­yloxy)-3-oxo-2-phenyl­octa­hydro-1H-iso­indole-4-carboxyl­ate

The title molecule, C₂₀H₂₃NO₇, the product of nucleophilic cleavage of the 3a,6-ep­oxy bridge in 1-oxo-2-phenyl­octa­hydro-3a,6-ep­oxy­iso­indole-7-carboxyl­ate, comprises a cis-fused bicyclic system containing a 2-pyrrolidinone ring in an envelope conformation (with the C atom bearing the carboxyl­ate substituent as the flap) and a cyclo­hexane ring in a chair conformation. The carboxyl­ate substituent occupies the equatorial position, whereas the two acet­yloxy substituents are in axial positions. The N atom has a trigonal-planar geometry, the sum of the bond angles being 359.3 (3)°. The dihedral angle between the mean plane of the four planar atoms of the pyrrolidinone ring and the phenyl ring is 25.98 (6)°. In the crystal, mol­ecules are linked into zigzag chains along the c-axis direction by C—H...O hydrogen bonds.

6-(4-Chloro­phen­yl)-3-methyl­imidazo[2,1-b]thia­zole

In the title compound, C₁₂H₉ClN₂S, the imidazo[2,1-b]thia­zole fragment is planar (r.m.s. deviation = 0.003 Å), and the benzene ring is twisted slightly [by 5.65 (6)°] relative to this moiety. In the crystal, mol­ecules are linked by π–π stacking inter­actions into columns along [010]. The mol­ecules within the columns are arranged alternatively by their planar rotation of 180°. Thus, in the columns, there are the two types of π–π stacking inter­actions, namely, (i) between two imidazo[2,1-b]thia­zole fragments [inter­planar distance = 3.351 (2) Å] and (ii) between an imidazo[2,1-b]thia­zole fragment and the phenyl ring [inter­planar distance = 3.410 (5) Å]. There are no short contacts between the columns.