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The title compound, C5H6ClN3O, is essentially planar with a maximum deviation of 0.0256 (11) Å for all non-H atoms. In the crystal, adjacent molecules are linked by a pair of N—HN hydrogen bonds, forming an inversion dimer with an R22(8) ring motif. The dimers are further linked via N—HO hydrogen bonds into an undulating sheet structure parallel to the bc plane.
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In the title salt, C6H9N2+·C2F3O2−, the F atoms of the anion are disordered over two sets of sites, with refined occupancies in a ratio of 0.505 (17):0.495 (17). In the crystal, cations and anions are linked via N—HO hydrogen bonds, forming R22(8) ring motifs. The ionic units are linked into a two-dimensional network parallel to (100) by N—HO and weak C—HO hydrogen bonds. The crystal structure is further stabilized by weak C—HF hydrogen bonds, resulting in a three-dimensional network.
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In the title salt, 2C4H6ClN4+·C4H2O42−, the complete fumarate dianion is generated by crystallographic inversion symmetry. The cation is essentially planar, with a maximum deviation of 0.018 (1) Å. In the anion, the carboxylate group is twisted slightly away from the attached plane, the dihedral angle between the carboxylate and (E)-but-2-ene planes being 12.78 (13)°. 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—HO hydrogen bonds, forming an R22(8) ring motif. In addition, another type of R22(8) motif is formed by centrosymmetrically related pyrimidinium cations via N—HN hydrogen bonds. These two combined motifs form a heterotetramer. The crystal structure is further stabilized by stong N—HO, N—HCl and weak C—HO hydrogen bonds, resulting a three-dimensional network.
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The asymmetric unit of the title compound, 2C5H6ClN3O·C4H6O4, consists of one 4-chloro-6-methoxypyrimidin-2-amine molecule and one half-molecule of succinic acid which lies about an inversion centre. In the crystal, the acid and base molecules are linked through N—HO and O—HN hydrogen bonds, forming a tape along [1-10] in which R22(8) and R42(8) hydrogen-bond motifs are observed. The tapes are further interlinked through a pair of C—HO hydrogen bonds into a sheet parallel to (11-2).
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The base molecule of the title co-crystal, C7H10N2O2S·C7H6O3, is essentially planar, with a maximum deviation of 0.0806 (14) Å for all non-H atoms. The acid molecule is also nearly planar, with a dihedral angle of 8.12 (14)° between the benzene ring and the carboxy group. In the crystal, the acid molecules form an inversion dimer through a pair of O—HO hydrogen bonds with an R22(8) ring motif. The pyrimidine molecules are linked on both sides of the dimer into a heterotetramer via O—HN and C—HO hydrogen bonds with R22(8) ring motifs. The heterotetramers are further linked by weak C—HO hydrogen bonds, forming a tape structure along [1-10].
organic compounds
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The benzoic acid molecule of the title compound, C4H5ClN4·C7H6O2, is approximately planar, with a dihedral angle of 1.28 (9)° between the carboxy group and the benzene ring. In the crystal, two acid and two base molecules are linked through N—HO and O—HN hydrogen bonds, forming a centrosymmetric 2 + 2 unit with R22(8) and R42(8) motifs. These units are further linked through a pair of N—HN hydrogen bonds into a tape structure along [1-20]. The crystal structure also features weak π–π [centroid–centroid distance = 3.5984 (11) Å] and C—Hπ interactions.
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In the 4-methoxyquinoline-2-carboxylate anion of the title salt, C5H8N3+·C11H8NO3−, the dihedral angle between the quinoline ring system and the carboxylate group is 16.54 (15)°. In the crystal, the cations and anions are linked via N—HO and N—HN hydrogen bonds, forming a centrosymmetric 2 + 2 aggregate with R22(9) and R42(8) ring motifs. These units are further connected via N—HO hydrogen bonds into a layer parallel to the bc plane. The crystal structure is also stabilized by weak C—HO hydrogen bonds and π–π interactions between pyridine rings [centroid–centroid distance = 3.5886 (8) Å] and between pyridine and benzene rings [centroid–centroid distance = 3.6328 (8) Å].