38 research outputs found
2,3-Diaminopyridinium 3-aminobenzoate
In the title salt, C5H8N3
+·C7H6NO2
−, the pyridine N atom of the 2,3-diaminopyridine molecule is protonated. The protonated N atom and one of the two N atoms of the 2-amino groups are hydrogen bonded to the 3-aminobenzoate anion through a pair of N—H⋯O hydrogen bonds, forming an R
2
2(8) ring motif. The carboxylate mean plane of the 3-aminobenzoate anion is twisted by 8.81 (7)° from the attached ring. The crystal structure is further stabilized by π–π interactions [centroid–centroid distance 3.6827 (7) Å]
6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4- triazine (1/1)
In the title molecular salt, C5H9N4 + C13H10NO2
C5H8N4, the asymmetric unit consists of a 6-amino-3,4-dimethyl-1,2,4-triazin-1-ium cation, a 2-anilinobenzoate
anion and a neutral 3-amino-5,6-dimethyl-1,2,4-triazine molecule. The typical intramolecular NH—O hydrogen bond is observed in the 2-anilinobenzoate anion. In the crystal, the protonated N atom and the 3-amino group are hydrogen bonded to the carboxylate oxygen atoms via a pair of N—HO hydrogen bonds, forming an R2 2 (8) ring motif. These motifs are further linked with adjacent neutral 3-amino-5,6-dimethyl-1,2,4-triazine molecules by
N—HO and N—HN hydrogen bonds to produce centrosymmetric sixmembered units, enclosing R2 2(8) and R3 4(9) ring motifs. They are reinforced by a C—HN hydrogen bond and stack up the b-axis direction
Bis(2,3-diaminopyridinium) succinate trihydrate
In the title salt, 2C5H8N3
+·C4H4O4
2−·3H2O, the asymmetric unit contains a protonated 2,3-diaminopyridinium cation, half of a succinate dianion (disposed about a centre of inversion), and one and a half water molecules. One of the water molecules is disordered over two sites with occupancies of 0.670 (17) and 0.330 (17). The other water molecule has an occupancy of 0.5 (from refinement). The pyridine N atom of the 2,3-diaminopyridine molecule is protonated. The protonated N atom and one of the 2-amino H atoms are hydrogen bonded to the succinate anion through a pair of N—H⋯O hydrogen bonds, forming an R
2
2(8) ring motif. In the crystal, molecules are consolidated into a three-dimensional network by N—H⋯O and O—H⋯O interactions
2,3-Diaminopyridinium 4-nitrobenzoate
In the title salt, C5H8N3
+·C7H4NO4
−, the pyridine N atom of the 2,3-diaminopyridine molecule is protonated. The protonated N atom and one of the two 2-amino groups are hydrogen bonded to the 4-nitrobenzoate anion through a pair of N—H⋯O hydrogen bonds, forming an R
2
2(8) ring motif. The carboxylate mean plane of the 4-nitrobenzoate anion is twisted by 3.77 (5)° from the attached ring and the nitro group is similarly twisted by 2.28 (10)°. In the crystal, the molecules are linked by N—H⋯O and C—H⋯O interactions into sheets parallel to (100)
2,3-Diaminopyridinium 4-hydroxybenzoate
In the title compound, C5H8N3
+·C7H5O3
−, the pyridine N atom is protonated. In the 4-hydroxybenzoate anion, the carboxylate group is twisted slightly out of the benzene ring plane by an angle of 3.77 (5)°. The protonated N atom and one of the two amino groups are hydrogen-bonded to the 4-hydroxybenzoate anion through a pair of N—H⋯O hydrogen bonds, forming an R
2
2(8) ring motif. The crystal structure is further stabilized by O—H⋯O and C—H⋯O hydrogen bonds and π–π interactions involving the pyridinium rings [centroid–centroid distance of 3.6277 (5) Å], leading to the formation of a three-dimensional network
Crystal structure and Hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 2-hydroxybenzoate
In the title molecular salt, C6H10N3O+C7H5O3, the cation is protonated at the N atom lying between the amine and methyl substituents and the dihedral angle between the carboxyl group and its attached ring in the anion is 4.0 (2)�. The anion features an intramolecular O—HO hydrogen bond, which closes an S(6) ring. The cation and anion are linked by two N—HO hydrogen bonds [R2 2 (8) motif] to generate an ion pair in which the dihedral angle between the aromatic rings is 8.34 (9)�. Crystal symmetry relates two ion pairs bridged by further N—HO hydrogen bonds into a tetrameric DDAA array. The tetramers are linked by pairs of C—HO hydrogen bonds to generate [100] chains. Hirshfeld surface and fingerprint plot analyses are presented
Crystal structure of 2,4-diamino-7-(hydroxymethyl)pteridin-1-ium nitrate
In the crystal of the title molecular salt, C7H9N6O+
NO3, the cations and anions are linked via N—HO and O—HO
hydrogen bonds, forming sheets parallel to (100). Within the sheets there are numerous hydrogen-bonding ring motifs
(1Z)-1-(2,4-Dichlorophenyl)ethan-1-one semicarbazone
In the title compound, C9H9Cl2N3O, the semicarbazone group is approximately planar, with an r.m.s deviation from the mean plane of 0.011 (2) Å. The dihedral angle between the least-squares planes through the semicarbazone group and the benzene ring is 38.76 (9)°. The crystal structure is further stabilized by N—H⋯O and C—H⋯O hydrogen bonding
2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate
In the title molecular salt, C4H6ClN4+.C5H7O4
-, the cation is essentially planar, with a maximum deviation of 0.037 (1) A ° for all non-H atoms. The anions are self-assembled through O—H...O hydrogen bonds, forming a supramolecular zigzag chain with graph-set notation C(8). 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 with an R2 2(8) ring motif. This motif further self-organizes through N—H...O and O—H...O hydrogen bonds, generating an array of six hydrogen bonds, the rings having graph-set notation R3 2(8), R2 2(8), R4 2(8), R2 2(8) and R3 2(8). In addition, another type of R2 2(8) motif is formed by inversion-related pyrimidinium cations via N—H...N hydrogen bonds, forming a two-dimensional network parallel to (101)
3,4-Diaminopyridinium hydrogen succinate
In the title compound, C5H8N3
+·C4H5O4
−, the pyridine N atom of the 3,4-diaminopyridine molecule is protonated. The protonated N atom participates in an N—H⋯O hydrogen bond to a succinate O atom of the singly deprotonated succinate anion. Each of the two amino groups are hydrogen-bonded to the O atoms of two different sets of succinate groups.. The crystal structure is further stabilized by O—H⋯O and C—H⋯O hydrogen bonds