In the title hydrate, C13H11N3O·H2O, the benzotriazole ring system is planar (r.m.s. deviation = 0.007 Å) and is almost orthogonal to the phenyl ring to which it is linked by a methylene group, forming a dihedral angle of 81.87 (15)°. In the crystal, molecules are linked into chains along  by O—H⋯O hydrogen bonds. The chains are consolidated into a three-dimensional architecture by C—H⋯O, C—H⋯π and π–π [centroid–centroid distance between the five- and six-membered rings of the benzotriazole ring system = 3.595 (3) Å] interactions.
In the title compound, C6H5N3O·C13H11N3O, the benzotriazole ring system in the 1-benzyl-1H-benzotriazole 3-oxide (A) molecule is close to being planar (r.m.s. deviation = 0.011 Å); its mean plane forms a dihedral angle of 67.56 (7)° with that of the attached phenyl ring. The benzotriazole ring system in the 1-hydroxybenzotriazole (B) molecule is also close to being planar (r.m.s. deviation = 0.010 Å). In the crystal, weak C—H⋯O and C—H⋯π interactions are present. The A and B molecules are linked by an O—H⋯N hydrogen bond.
In the title compound, C13H11N3O, the dihedral angle between the benzotriazole ring system [maximum deviation = 0.027 (16) Å] and the benzene ring is 10.28 (9)°. The C—C—O—N bond adopts an anti conformation [torsion angle = −177.11 (16)°]. In the crystal, the molecules interact via weak C—H⋯π interactions and aromatic π–π stacking [centroid-to-centroid distance = 3.731 (12) Å].
In the title compound, C13H11N3, the benzotriazole ring system is essentially planar, with a maximum deviation of 0.0173 (18) Å, and forms a dihedral angle of 75.08 (8)Å with the phenyl ring. In the crystal, pairs of weak C—H⋯N hydrogen bonds form inversion dimers. In addition, there are weak C—H⋯π(arene) interactions and weak π–π stacking interactions, with a centroid–centroid distance of 3.673 (11) Å.
In the title compound, [K2PtCl4(C12H24O6)2], the PtII ion is located on an inversion centre and is coordinated by four Cl atoms, forming a square-planar geometry. The KI ion is coordinated by six O atoms of the crown ether and two bridging Cl atoms. The KI ion is displaced by 0.756 (2) Å from the mean plane of the six O atoms of the crown ether. The molecules are connected by weak C—H⋯O hydrogen bonds, forming an infinite two-dimensional network parallel to the (10) plane. Intra- and intermolecular C—H⋯Cl hydrogen bonds are also observed.
In the structure of the title compound, [KPt(C6H4N3O)Cl2(C6H5N3O)(C12H24O6)], the PtII atom is in a distorted square-planar geometry. The crystal structure is consolidated by O—H⋯O hydrogen bonds. The measured crystal was a non-merohedral twin with four components.
In the title compound, C16H17N3O, the benzotriazole ring forms a dihedral angle of 77.25 (6)° with the phenyl ring. The benzotriazole ring is essentially planar with a maximum deviation of 0.012 (19) Å. Weak intermolecular C—H⋯O hydrogen bonds form R
2(10) motifs. The crystal packing is consolidated by π—π interactions with centroid–centroid distances of 3.5994 (12) Å together with very weak C—H⋯π interactions.
There are two monomeric units in the asymmetric unit of the polymeric title compound, [Na(C5H4NOS)(C10H8N2O2S2)(H2O)]n. The NaI ions are six coordinated by four O atoms, one S atom and one water molecule, forming a slightly distorted octahedral geometry. An intramolecular O—H⋯O hydrogen bond stabilizes the conformation of the molecule. The crystal packing is consolidated by intermolecular O—H⋯O, O—H⋯N and O—H⋯S hydrogen bonds, π–π interactions [with centroid–centroid distances of 3.587 (2) Å] together with weak C—H⋯π interactions. The molecules are linked into polymeric chains along the b-axis direction.
The asymmetric unit of the title compound, C11H12N2O4, contains 12 crystallographically independent molecules, labelled A to L. The nitro and carboxyl groups are twisted slightly out of the plane of the attached benzene ring in all independent molecules except molecules G and D. The nitro group is coplanar with the benzene ring in molecule G and the carboxyl group is coplanar with the benzene ring in molecule D. The orientation of the butyl group with respect to the rest of the molecule is different in some of the independent molecules, with the C—C—C—C torsion angles varying from 104.2 (5) to 126.6 (7)°. In each independent molecule, an intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal structure, the 12 independent molecules exist as six pairs of O—H⋯O hydrogen-bonded R
2(8) dimers. In addition, C—H⋯O hydrogen bonds are observed.
The title compound, C14H18N2O3, crystallizes with two independent molecules in the asymmetric unit, having closely comparable geometries. Both molecules are essentially planar [maximum deviations from the mean plane of 0.069 (1) and 0.068 (1) Å for the two molecules] and contain an intramolecular N—H⋯O hydrogen bond which generates a ring with graph-set motif S(6). In the crystal, the molecules are linked into chains along the c axis by intermolecular C—H⋯O hydrogen bonds, and intermolecular C—H⋯π interactions are also present.
In the title molecule, C20H16N2O2, the benzimidazole mean plane forms dihedral angles of 56.55 (3) and 81.65 (4)° with the two benzene rings. In the crystal structure, intermolecular O—H⋯O and O—H⋯N hydrogen bonds link the molecules into layers parallel to the (101) plane. The crystal packing also exhibits weak intermolecular C—H⋯O and C—H⋯π interactions.
In the title compound, C11H15N3O3, one of the methyl groups attached to the benzamide unit is slightly twisted with a C—N—C—C torsion angle of 4.04 (13)°. The crystal packing is stabilized by weak intermolecular C—H⋯O hydrogen bonds together with a weak C—H⋯π interaction.
In the title compound, C21H23BrN4S, the 4-bromobenzylidene group is disordered over two orientations with occupancies of 0.504 (5) and 0.496 (5). One of the methyl groups of the isobutyl unit is disordered over two sites with occupancies of 0.751 (19) and 0.249 (19). The benzene rings of the isobutylphenyl and bromophenyl (major disorder component) groups form dihedral angles of 71.63 (11) and 21.8 (3)°, respectively, with the triazole ring. In the crystal, centrosymmetrically related molecules exist as centrosymmetric N—H⋯S hydrogen-bonded dimers.
In the title molecule, C24H22O8, the mean planes of the two coumarin units are inclined to each other at a dihedral angle of 79.93 (3)°. The attached methoxy groups form torsion angles of 7.65 (19) and 78.36 (14)° with respect to one coumarin unit, and angles of 9.01 (16) and 99.08 (11)° with respect to the other coumarin unit. In the crystal structure, weak intermolecular C—H⋯O hydrogen bonds connect pairs of molecules to form dimers, generating R
2(16) and R
2(18) rings; the dimers are linked by further weak intermolecular C—H⋯O hydrogen bonds, forming extended chains. Additional stabilization is provided by weak C—H⋯π interactions.
The asymmetric unit of the title compound, C21H23ClN4S, contains nine crystallographically independent molecules, labelled A to I. The orientation of the 2-[4-(2-methylpropyl)phenyl]ethyl unit with respect to the rest of the molecule is significantly different in molecules E, F, H and I compared to the other independent molecules. The isobutyl group of molecule B is disordered over two orientations, with occupancies of 0.764 (7) and 0.236 (7). The benzene rings of the chlorophenyl and methylpropylphenyl units form dihedral angles of 21.90 (11) and 71.47 (11)°, respectively, with the triazole ring in molecule A [9.15 (11) and 80.37 (11)° in B, 7.14 (11) and 84.06 (11)° in C, 25.76 (11) and 76.59 (11)° in D, 13.68 (11) and 76.82 (10)° in E, 8.38 (11) and 69.77 (10)° in F, 30.34 (11) and 78.12 (11)° in G, 21.20 (11) and 71.58 (10)° in H, and 27.65 (11) and 65.23 (11)° in I]. In each independent molecule, a C—H⋯S hydrogen bond is observed. The crystal packing is stabilized by N—H⋯S and C—H⋯S hydrogen bonds, and by C—H⋯π interactions involving the methylpropylphenyl ring.
In the crystal structure, the title compound, C24H22O8, lies on a twofold rotation axis and the asymmetric unit comprises one half-molecule. The dihedral angle formed by the coumarin unit with the symmetry-related part is 74.78 (14)°. One of the methoxy groups attached to the coumarin unit is considerably twisted, making an angle of 87.17 (17)° with respect to the coumarin unit; the other is twisted by 0.66 (19)°. No classical hydrogen bonds are found in the sturcture; only a weak C—H⋯π interaction and short intramolecular O⋯O contacts [2.683 (2)–2.701 (2) Å] are observed.
In the title compound, C11H14N2O4, all non-H atoms lie in a mirror plane except for one of the methyl groups which deviates from the mirror plane by 0.919 (3) Å and is twisted by a torsion angle of 62.9 (2)°. An intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal packing, the molecules are linked together by O—H⋯O hydrogen bonds, forming dimers with graph-set motif R
2(8) which propagate along the a-axis direction. C—H⋯O contacts link adjacent dimers with a graph-set motif C
2(7), forming chains along b, and further consolidate the structure into a three-dimensional network. The crystal packing is further strengthened by short intermolecular O⋯O=C [2.655 (4) Å] contacts.
In the title compound, C22H21ClO4, the cyclohex-3-ene unit adopts an envelope conformation in both independent molecules comprising the asymmetric unit. The two benzene rings are inclined to each other at a dihedral angle of 82.03 (5)° [86.37 (5)°]. In the crystal, the molecules interact via C—H⋯O, C—H⋯Cl and C—H⋯π interactions.
In the title compound, C22H26N4OS, the benzene rings of the (2-methylpropyl)phenyl and 4-methoxyphenyl units form dihedral angles of 66.85 (3) and 25.96 (3)°, respectively, with the triazole ring. The dihedral angle between the two benzene rings is 87.42 (2)°. The –CH(CH3) linkage is disordered over two orientations with occupancies of 0.907 (3) and 0.093 (3). An intramolecular C—H⋯S hydrogen bond generates an S(6) ring motif. Intermolecular N—H⋯S hydrogen bonds and C—H⋯π interactions are observed.
The asymmetric unit of the title compound, C11H14N2O4, comprises four crystallographically independent molecules (A, B, C and D) with similar geometries. In each molecule, the butylamino side chain is in an extended conformation, and the carboxyl and butylamino groups are almost coplanar with the attached benzene ring; the nitro group is slightly twisted away from the benzene ring. In the asymmetric unit, the benzene rings of molecules A, B and C are stacked parallel to one another, with a centroid–centroid distance of 3.6197 (11) or 3.6569 (11) Å, indicating π–π interactions. An intramolecular N—H⋯O hydrogen bond is observed in each independent molecule. In addition to the π–π interactions, the crystal packing is consolidated by intermolecular O—H⋯O and C—H⋯O hydrogen bonds and C—H⋯π interactions. The crystal studied was a non-merohedral twin. The minor twin component refined to a value of 0.290 (1).
In the title compound, (C5H7N2)2[CoCl4], the cobalt(II) ion is coordinated by four chloride ions in a slightly distorted tetrahedral geometry. The crystal packing is stabilized by intermolecular N—H⋯Cl hydrogen bonding, forming a three-dimensional network. The crystal was a non-merohedral twin emulating tetragonal symmetry, but being in fact orthorhombic.
The asymmetric unit of the title compound, C20H18F2N2O2S, contains four independent molecules, two of which are paired into a dimer by way of two N—H⋯S hydrogen bonds. The other two independent molecules are paired into two centrosymmetric dimers via pairs of intermolecular N—H⋯S hydrogen bonds. In one molecule, the carboxylate O atoms, methylene and methyl groups attached to the benzene ring are disordered between two positions in a 0.908 (3):0.092 (3) ratio. In two of the independent molecules, the F and H atoms of the diflourophenyl ring are flip-flop disordered (i.e. by 180° about the C—C bond axis linking the ring to the rest of the molecule) in a 3:2 ratio. The crystal packing is stabilized by weak intermolecular C—H⋯O hydrogen bonds.
In the title compound, C10H18O5·H2O, the fucopyranoside ring adopts a chair conformation. The crystal packing is stabilized by intermolecular O—H⋯O and C—H⋯O hydrogen bonds together with intramolecular O⋯O [2.2936 (8) Å] and intermolecular O⋯O [2.7140 (8)–2.829 (3) Å] short contacts. The molecules are linked together to form an infinite chain along the a axis. This structure has been solved previously but with no R-values [Spiers (1931). Z. Kristallogr. Kristallgeom. Kristallphys. Kristallchem.
In the centrosymmetric title compound, [Ni(C8H8NO3S)2(H2O)4], the NiII ion, which lies on an inversion centre, is six coordinated by four water molecules and two propionate O atoms from two 2-pyridylsulfanylpropionate N-oxide ligands, forming a slightly distorted octahedral geometry. An intramolecular O—H⋯O hydrogen bond stabilizes the molecular conformation. The crystal packing is consolidated by intermolecular O—H⋯O and C—H⋯O hydrogen bonding.
In the title compound, C17H19N3O, the benzotriazole ring is essentially planar, with a maximum deviation of 0.0069 (15) Å. The mean plane of the benzotriazole ring forms a dihedral angle of 13.16 (4)° with the mean plane of the benzene ring. The crystal packing is stabilized by π–π stacking interactions, with a centroid–centroid distance of 3.8077 (12) Å, together with weak C—H⋯π interactions. Molecules are stacked along the a axis.