2-Amino-5-chloro­pyrimidin-1-ium hydrogen maleate

In the title salt, C₄H₅ClN₃⁺·C₄H₃O₄⁻, the 2-amino-5-chloro­pyrimidinium cation is protonated at one of its pyrimidine N atoms. In the roughly planar (r.m.s. deviation = 0.026 Å) hydrogen malate anion, an intra­molecular O—H...O hydrogen bond generates an S(7) ring. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl­ate O atoms of the anion via a pair of N—H...O hydrogen bonds, forming an R²₂(8) ring motif. The ion pairs are connected via further N—H...O hydrogen bonds and a short C—H...O inter­action, forming layers lying parallel to the bc plane.

1-(4,4′′-Difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-yl)ethanone

In the title compound, C₂₁H₁₆F₂O₂, the central benzene ring is inclined at dihedral angles of 30.91 (8) and 46.88 (7)° to the two terminal fluoro-substituted rings. The dihedral angle between the two terminal fluoro-subsituted rings is 68.34 (8)°. An intra­molecular C—H...O hydrogen bond generates an S(6) ring motif. The crystal structure is stabilized by weak C—H...π inter­actions.

2,3-Diamino­pyridinium sorbate–sorbic acid (1/1)

In the title mol­ecular salt–adduct, C₅H₈N₃⁺·C₆H₇O₂⁻·C₆H₈O₂, the 2,3-diamino­pyridinium cation is essentially planar, with a maximum deviation of 0.013 (2) Å, and is protanated at its pyridine N atom. The sorbate anion and sorbic acid mol­ecules exist in extended conformations. In the crystal, the protonated N atom and one of the two amino-group H atoms are hydrogen bonded to the sorbate anion through a pair of N—H...O hydrogen bonds, forming an R₁²(6) ring motif. The carboxyl groups of the sorbic acid mol­ecules and the carboxyl­ate groups of the sorbate anions are connected via O—H...O hydrogen bonds. Furthermore, the ion pairs and neutral mol­ecules are connected via inter­molecular N—H...O hydrogen bonds, forming sheets lying parallel to (100).

Diisobutyl 4-(3-eth­oxy-4-hy­droxy­phen­yl)-2,6-dimethyl-1,4-dihydro­pyridine-3,5-dicarboxyl­ate

The asymmetric unit of the title compound, C₂₅H₃₅NO₆, contains two independent mol­ecules. In each mol­ecule, the 1,4-dihydro­pyridine ring adopts a flattened boat conformation. The dihedral angles between the 1,4-dihydro­pyridine and benzene rings are 87.55 (7) and 87.23 (7)°. In one of these mol­ecules, one of the isobutyl groups is disordered over two sets of sites, with an occupancy ratio of 0.890 (2):0.110 (2). In the crystal, mol­ecules are linked through N—H...O, O—H...O and C—H...O hydrogen bonds forming two-dimensional networks parallel to the ab plane. The crystal structure is further stabilized by weak C—H...π inter­actions.

catena-Poly[[[aqua­manganese(III)]-μ-(E)-5-bromo-N-[2-(5-bromo-2-oxidobenzyl­idene­amino)-4-nitro­phen­yl]-2-oxidobenzamidato] N,N-dimethyl­fomamide monosolvate]

The asymmetric unit of the title complex, {[Mn(C₂₀H₁₀Br₂N₃O₅)(H₂O)]·(CH₃)₂NCHO}_n, consists of one Mn^III ion, one (E)-5-bromo-N-[2-(5-bromo-2-oxidobenzyl­idene­amino)-4-nitro­phen­yl]-2-oxidobenzamidate ligand (Schiff base), one water mol­ecule and an N,N-dimethyl­formamide mol­ecule. The coordination geometry around the Mn^III ion is a distorted octa­hedron, being surrounded by two O and two N atoms from the Schiff base, which are positioned in the equatorial plane. The water mol­ecule and the O atom of the carbonyl group from the adjacent Mn^III complex are situated at the axial positions, leading to a polymeric chain along the c axis. In the crystal, the complex and N,N-dimethyl­formamide mol­ecules are connected via O—H...O, C—H...O and C—H...Br hydrogen bonds, forming a three-dimensional network.

Bis(2,3-diamino­pyridinium) phthalate dihydrate

The complete anion of the title hydrated mol­ecular salt, 2C₅H₈N₃⁺·C₈H₄O₄⁻·2H₂O, is generated by a crystallographic twofold axis. In the crystal, the cations, anions and water mol­ecules are connected by N—H...O, O—H...O and C—H...O hydrogen bonds, forming a three-dimensional network. The crystal structure also features C—H...π inter­actions.

3-Acetyl-1-(3-methyl­phen­yl)-5-phenyl-1H-pyrazole-4-carbonitrile

In the title compound, C₁₉H₁₅N₃O, the central pyrazole ring makes dihedral angles of 35.52 (12) and 62.21 (11)° with the attached phenyl and methyl-substituted phenyl rings, respectively. The corresponding angle between the phenyl and methyl-substituted phenyl rings is 62.90 (11)°. In the crystal, mol­ecules are connected by weak C—H...O hydrogen bonds, forming supra­molecular chains propagating along the a-axis direction.

5-Isopropyl­imidazolidine-2,4-dione monohydrate

In the title compound, C₆H₁₀N₂O₂·H₂O, the imidazole ring is essentially planar, with a maximum deviation of 0.012 (2) Å. In the crystal, mol­ecules are connected via N—H...O and O—H...O hydrogen bonds, forming a supra­molecular tape along the a axis.

3,3′-[1,2-Phenyl­enebis(methyl­ene)]bis­(1-ethyl­benzimidazolium) dibromide

In the title mol­ecular salt, C₂₆H₂₈N₄²⁺·2Br⁻, the central benzene ring makes dihedral angles of 76.75 (11) and 82.40 (10)° with the pendant benzimidazole rings. The corresponding angle between the benzimidazole rings is 57.03 (9)°. In the crystal, the cations and anions are linked via C—H...Br hydrogen bonds, forming sheets lying parallel to the bc plane. The crystal structure also features weak C—H...π inter­actions.

Methyl N-({[2-(2-meth­oxy­acetamido)-4-(phenyl­sulfan­yl)phen­yl]amino}[(meth­oxy­carbonyl)imino]methyl)carbamate

In the title compound, C₂₀H₂₂N₄O₆S, the phenyl and benzene rings form a dihedral angle of 58.75 (5)°. Intra­molecular N—H...O and N—H...N hydrogen bonds generate two S(6) and one S(7) ring motif, respectively. In the crystal, mol­ecules are linked via N—H...O, N—H...N, C—H...S and C—H...O hydrogen bonds, forming two-dimensional networks parallel to the bc plane.

4-Methyl-2-oxo-2H-chromen-7-yl 4-fluoro­benzene­sulfonate

In the asymmetric unit of the title compound, C₁₆H₁₁FO₅S, the 2H-chromene ring is essentially planar, with a maximum deviation of 0.040 (2) Å. The dihedral angle between the 2H-chromene ring and the 4-fluoro­phenyl ring is 2.17 (8)°. One of the sulfonamide O atoms is approximately coplanar with the benzene ring [C—C—S—O torsion angle = 166.00 (14)°], whereas the other O atom lies well below the plane [C—C—S—O = −61.35 (17)°]. In the crystal, mol­ecules are connected by weak C—H...O hydrogen bonds, forming two-dimensional networks parallel to the ac plane.

3-Benzyl-6-methyl-2-sulfanylidene-2,3-di­hydroquinazolin-4(1H)-one

In the title compound, C₁₆H₁₄N₂OS, the quinazoline ring system is essentially planar, with a maximum deviation of 0.029 (3) Å. The dihedral angle between the quinazoline and benzene rings is 88.4 (2)°. In the crystal, adjacent mol­ecules are connected via pairs of N—H...S and C—H...O hydrogen bonds, which generate R²₂(8) and R²₂(10) graph-set motifs, respectively, resulting in a supra­molecular chain along the a axis.

(1Z,2E)-N′-{2-Chloro-1-methyl-2-[2-(4-methyl­phen­yl)hydrazin-1-yl­idene]ethyl­idene}-4-meth­oxy­benzohydrazide

The asymmetric unit of the title compound, C₁₈H₁₉ClN₄O₂, contains two mol­ecules, in which the dihedral angles between the benzene rings are 43.60 (12) and 58.65 (13)°. The hydrazine N atoms are twisted slightly out of the planes of the tolyl and meth­oxy­benzene rings: the C—C—N—N and N—N—C—C torsion angles are 171.1 (2) and −174.4 (2)°, respectively, for one mol­ecule and −177.4 (2) and −170.6 (2)°, respectively, for the other. In the crystal, mol­ecules are linked by N—H...O and C—H...O hydrogen bonds into chains propagating along the b-axis direction.

Absolute configuration of (1S,2S)-3-methyl-2-phenyl-2,3-dihydro­thia­zolo[2,3-b]quinazolin-5-one

The absolute structure of the molecule in the crystal of the title compound, C₁₇H₁₄N₂OS, was determined by the refinement of the Flack parameter to 0.0 (2) based on 1011 Friedel pairs. The quinazoline ring is essentially planar, with a maximum deviation of 0.037 (2) Å. The thia­zole ring is distorted from planarity [maximum deviation = 0.168 (2) Å] and adopts a slightly twisted envelope conformation, with the C atom as the flap atom. The central thia­zole ring makes dihedral angles of 7.01 (8) and 76.80 (10)° with the quinazoline and phenyl rings, respectively. The corresponding angle between the quinazoline and phenyl rings is 3.74 (9)°. In the crystal, there are no classical hydrogen bonds but stabilization is provided by weak C—H...π inter­actions, involving the centroids of the phenyl rings.

(E)-N′-(4-Isopropyl­benzyl­idene)isonicotinohydrazide monohydrate

In the title compound, C₁₆H₁₇N₃O·H₂O, the isonicotinohydrazide mol­ecule adopts an E conformation about the central C=N double bond. The dihedral angle between the pyridine and the benzene rings is 54.56 (15)°. In the crystal, mol­ecules are connected via N—H...O, O—H...N and O—H...O hydrogen bonds, forming a three-dimensional network.

(E)-2-(2,3-Dimethyl­anilino)-N′-[2-methyl-5-(prop-1-en-2-yl)cyclo­hex-2-enyl­idene]benzohydrazide

The asymmetric unit of the title compound, C₂₅H₂₉N₃O, comprises two crystallographically independent mol­ecules. The dihedral angles between the benzene rings in the two mol­ecules are 59.7 (2) and 61.27 (18)°. The cyclo­hexene rings adopt sofa and half-chair conformations. In the crystal, mol­ecules are connected via N—H...O and weak C—H...O hydrogen bonds, forming chains along the a axis. In each mol­ecule, there is an intra­molecular N—H...O hydrogen bond.

N′-[(1E,2E)-3,7-Dimethyl­octa-2,6-dien-1-yl­idene]pyridine-4-carbohydrazide

In the title compound, C₁₆H₂₁N₃O, the mol­ecule adopts an E conformation about the central C=N double bond. The 2-methyl­pent-2-ene group is disordered over two sets of sites, with a refined occupancy ratio of 0.785 (8):0.215 (8). The dihedral angle between the essentially planar [the r.m.s. value for the major component is 0.021 (7) and its maximum deviation is 0.025 (4) Å; the r.m.s. value for the minor component is 0.03 (4) and its maximum deviation is 0.05 (3) Å] major and minor components of the 2-methyl­but-2-ene group is 35.9 (13)°. In the crystal, C—H...O and N—H...O hydrogen bonds link the molecules, with the same O atom acting as the acceptor. This results in C¹₁(4) and C¹₁(5) [001] chains.