M. Boulhaoua

Crystal structure of triethyl 2-(5-nitro-2H-indazol-2-yl)propane-1,2,3-tri­carboxyl­ate

In the title compound, C19H23N3O8, the 5-nitro-2H-indazol-2-yl unit is almost planar, with the maximum deviation from the mean plane being 0.024u2005(2)u2005Å. The fused-ring system is nearly perpendicular to the three carboxylate groups, with dihedral angles of 90.0u2005(3), 83.8u2005(1) and 80.4u2005(1)°. The ethyl groups attached to both ends of the propane chain are each disordered over two sets of sites, with site-occupancy ratios of 0.425u2005(17):0.575u2005(17) and 0.302u2005(15):0.698u2005(15). In the crystal, molecules are linked by pairs of C—H⋯N hydrogen bonds, forming inversion dimers. The dimers are further linked by C—H⋯O hydrogen bonds, forming a three-dimensional network.

1-Benzyl-4-phenyl-1H-1,5-benzodiazepin-2(3H)-one

The title compound, C17H16N2O, consists of a benzodiazepin-2-one moiety substituted with a phenyl ring and an ethyl group. The seven-membered diazepine ring has a boat conformation and the fused benzene ring is nearly perpendicular to the phenyl ring, as indicated by the dihedral angle of 74.90u2005(8)°. The atoms of the ethyl group are disordered over two sets of sites, with a refined occupancy ratio of 0.603u2005(15):0.397u2005(15). In the crystal, molxadecules are linked by pairs of C—H⋯O hydrogen bonds, forming inversion dimers. The dimers are linked via a further C—H⋯O hydrogen bond, forming layers parallel to (001), which are in turn linked by C—H⋯π interxadactions, forming a three-dimensional structure.

1-Benzyl-5-nitro-1H-indazole

The asymmetric unit of the title compound, C14H11N3O2, contains two independent molxadecules linked by a C—H⋯O hydrogen bond. Pairs of neighboring dimeric units associate via π–π stacking interxadactions.

3-Chloro-6-nitro-1-[(1-octyl-1H-1,2,3-triazol-4-yl)meth­yl]-1H-indazole

The asymmetric unit of the title compound, C18H23ClN6O2, consists of two independent molxadecules differing primarily in the dihedral angles between the mean planes of the indazole and triazole moieties [78.50u2005(8) in one and 72.39u2005(7)° in the other]. One of the molxadecules shows positional disorder of the terminal part of its octyl chain. In the crystal, C—H⋯X (X = Cl, N, O) hydrogen bonds and C—H⋯π and π-stacking interxadactions are observed: together these generate a three-dimensional network.

N,N-Dimethyl-1H-pyrazolo­[3,4-d]pyrimidin-4-amine monohydrate

The asymmetric unit of the title compound, C7H9N5·H2O, consists of two formula units differing slightly in the orientation of the dixadmethylxadamino groups. In the crystal, a combination of O—H⋯N and N—H⋯O hydrogen bonds involving the water molecules of crystallization, as well as slipped π-stacking interxadactions between pyrazoloxadpyrimidine units form layers parallel to the bc plane.

1-Methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidine

In the title molxadecule, C19H13F3N4, the pyrazoloxadpyrimidine unit is slightly non-planar [dihedral angle between the five- and six-membered rings = 3.03u2005(15)°]. In the crystal, offset head-to-tail π-stacking interxadactions between pyrazoloxadpyrimidine units [centroid–centroid separation = 3.665u2005(2)u2005A] together with weak C—H⋯N hydrogen bonds form stepped chains propagating along the c-axis direction. The structure was refined as a two-component twin.

2-[(Prop-2-yn-1-yl)amino]­anilinium chloride

The title compound, C9H11N2+·Cl−, is an anilinium chloride salt, in which the Car—N—C—C (ar = aromatic) torsion angle is −84.95u2005(18)°. In the crystal, a bilayer of cation–anion sheets runs parallel to (100), primarily through an extensive range of N—H⋯Cl hydrogen bonds. Weak offset π-stacking interxadactions between the benzene rings stack molxadecules along c.

4-(Prop-2-yn-1-ylsulfan­yl)-1H-pyrazolo­[3,4-d]pyrimidine

The asymmetric unit of the title compound, C8H6N4S, consists of two independent molxadecules differing in the orientation of the side chain. In the crystal, molxadecules form dimers through N—H⋯N hydrogen bonds. The dimers stack along the a-axis direction with weak π–π stacking interxadactions [centroid–centroid distances of 3.898u2005(2) and 3.908u2005(2)u2005A]. The crystal studied was refined as a two-component twin.

2-(2-Oxo-4-phenyl-2,3-di­hydro-1H-1,5-benzodiazepin-1-yl)acetic acid

The asymmetric unit of the title compound, C17H14N2O3, consists of two independent molxadecules having distinctly different conformations. The components of the asymmetric unit are connected by an O—H⋯N hydrogen bond, with additional O—H⋯N hydrogen bonds connecting this assemblage into chains running parallel to the b axis. Interxadmolecular C—H⋯π(ring) interxadactions are also present.

2-(3-Bromo-5-nitro-1H-indazol-1-yl)-1-phenyl­ethanone

The 5-nitro-1H-indazol-1-yl moiety of the title compound, C15H10BrN3O3, is approximately planar, with the largest deviation from the mean plane being 0.079u2005(3)u2005A. The fused-ring system is virtually perpendicular to the mean plane through the 1-phenylxadethanone group, making a dihedral angle of 89.7u2005(2)°. In the crystal, pairs of molxadecules form inversion dimers via Br⋯O interxadactions [3.211u2005(2)u2005A]. The dimers are connected by C—H⋯O and C—H⋯N non-classical hydrogen bonds, in addition to π–π interxadactions [interxadcentroid distance = 3.6411u2005(12)u2005A], forming a three-dimensional network.