organic compounds
Open access
The title compound, C5H5Cl5N5P3, crystallizes as a zwitterion in which the pyridine N atom is protonated. An S(6) ring motif is formed via an intramolecular C—HN hydrogen bond. The triazatriphosphinine ring adopts an envelope conformation, with one N atom displaced by 0.145 (1) Å from the other atoms. In the crystal, N—HN and C—HN hydrogen bonds link the molecules into centrosymmetric dimers containing one R22(7) ring motif and two R22(8) ring motifs.
organic compounds
Open access
In the title compound, C20H22BrN5O2·2H2O, the Schiff base molecule exists in an E conformation with respect to the acyclic C=N bond. An S(6) ring motif is formed via an intramolecular O—HN hydrogen bond. The dihedral angle between the imidazo[1,2-a]pyridine system and the benzene ring is 84.62 (5)°. In the crystal, N—HO, O—HO, O—HN, C—HO and C—HBr hydrogen bonds link the molecules into a three-dimensional network. The crystal packing is further stabilized by C—Hπ and π–π interactions [centroid–centroid distance = 3.5365 (7) Å].
organic compounds
Open access
In the title compound, C22H24ClN3O4, intramolecular C—HO and C—HN hydrogen bonds form S(9) and S(7) ring motifs, respectively. The 1,4-dihydropyridine ring adopts a flattened boat conformation. The benzene ring makes a dihedral angle of 33.36 (6)° with the pyrazole ring. In the crystal, pairs of N—HN hydrogen bonds link the molecules into inversion dimers. The dimers are stacked in column along the a axis through N—HO and C—HN hydrogen bonds. The crystal packing also features C—Hπ interactions involving the pyrazole ring.
organic compounds
Open access
In the title compound, C8H7ClFNO, the dihedral angle between the benzene ring and the acetamide side chain is 5.47 (6)°. An S(6) ring motif is formed via an intramolecular C—HO hydrogen bond. In the crystal, N—HO hydrogen bonds link the molecules into C(4) chains along [001].
organic compounds
Open access
In the title compound, C29H19F2NO2, the central benzene ring forms a dihedral angle of 56.92 (12)° with the cyanobenzene ring and dihedral angles of 40.91 (12) and 44.76 (12)° with the two fluorobenzene rings. In the crystal, C—HO and C—HF hydrogen bonds link the molecules into sheets lying parallel to the ab plane. The crystal packing also features C—Hπ interactions involving the central benzene ring.
organic compounds
Open access
In the title compound, C28H19F3O2, the central benzene ring forms dihedral angles of 48.69 (6), 60.93 (6) and 42.06 (6)° with the fluorobenzene rings. In the crystal, intermolecular C—HO and C—HF hydrogen bonds link the molecules, forming an undulating two-dimensional network parallel to the bc plane. C—Hπ interactions further consolidate the crystal packing.
organic compounds
Open access
The asymmetric unit of the title compound, C13H10ClN3O·H2O, consists of two crystallographically independent Schiff base molecules which exist in an E conformation with respect to the C=N double bond, and two independent water molecules. In the crystal, the Schiff base and water molecules are linked into a three-dimensional network via N—HO, O—HN, O—HO and C—HO hydrogen bonds. The crystal studied was a pseudo-merohedral twin with twin law (101 0-10 00-1) and a component ratio of 0.792 (2):0.208 (2).
organic compounds
Open access
In the title compound, C15H9Cl2F3N2O2, the 1,6-dihydropyrano[2,3-c]pyrazole ring system is almost planar, with a maximum deviation of 0.0226 (14) Å, and forms a dihedral angle of 69.90 (6)° with the benzene ring. In the crystal, molecules are linked into a helical chain along the c axis by C—HO hydrogen bonds.
organic compounds
Open access
In the title compound, C20H16ClNO, an S(6) ring motif is formed via an intramolecular C—HO hydrogen bond. The chloro-substituted benzene ring is almost perpendicular to the benzene rings, forming dihedral angles of 87.33 (9) and 88.69 (9)°. The dihedral angle between the benzene rings is 87.17 (9)°. In the crystal, molecules are linked into chains parallel to the c axis by intermolecular N—HO hydrogen bonds. The crystal packing also features weak C—Hπ interactions involving the chloro-substituted ring.
organic compounds
Open access
In the title molecule, C17H14BrFN2O, the benzene rings form dihedral angles of 6.58 (6) and 85.31 (6)° with the mean plane of the 4,5-dihydro-1H-pyrazole ring (r.m.s. deviation = 0.0231 Å). The latter ring is planar with a maximum deviation of 0.032 (1) Å The dihedral angle between the benzene rings is 78.75 (6)°. In the crystal, weak C—HO and C—HF hydrogen bonds link the molecules into corrugated layers parallel to the ab plane.
organic compounds
Open access
In the title compound, C19H18BrFN2O, the benzene rings form dihedral angles of 5.38 (7) and 85.48 (7)° with the mean plane of the 4,5-dihydro-1H-pyrazole ring (r.m.s. deviation = 0.0849 Å), which approximates to an envelope conformation with the –CH2– group as the flap. The dihedral angle between the benzene rings is 82.86 (7)°. In the crystal, C—HF and C—HO hydrogen bonds link the molecules to form inversion dimers and together these generate chains along [011]. The crystal packing also features C—Hπ interactions.
organic compounds
Open access
The asymmetric unit of the title compound, C6H11N3O, consists of two independent molecules in which the cyclopentane rings adopt envelope conformations with CH2 grouping as the flap and the semicarbazone groups are essentially planar, with maximums deviation of 0.0311 (12) and 0.0285 (12) Å. In the crystal, N—HO, N—HN and C—HO hydrogen bonds link the molecules to form sheets lying parallel to the ab plane.
organic compounds
Open access
In the cation of the title compound, C9H12NO2+·Cl−, the dihedral angle between the 2-oxoethanaminium N—C—C(=O)– plane [maximum deviation = 0.0148 (12) Å] and the benzene ring is 7.98 (8)°. The methoxy group is approximately in-plane with the benzene ring, with a C—O—C—C torsion angle of −2.91 (18)°. In the crystal, the cations and chloride anions are connected by N—HCl and C—HCl hydrogen bonds, forming a layer parallel to the bc plane. A C—Hπ interaction further links the layers.
organic compounds
Open access
The title compound, C16H13Cl2F3N2, exists in an E conformation with respect to the C=N bond [1.2952 (11) Å] and the C—N—N=C torsion angle is 175.65 (8)°. The dihedral angle between the benzene rings is 42.09 (4)°. An intramolecular C—HF hydrogen bond generates an S(6) ring. In the crystal, the molecules are linked into [101] chains by C—HF hydrogen bonds.