1-Benzyl-1H-benzotriazole 3-oxide-1-hy-droxy-1H-benzotriazole (1/1).

In the title compound, C(6)H(5)N(3)O·C(13)H(11)N(3)O, the benzo-triazole ring system in the 1-benzyl-1H-benzotriazole 3-oxide (A) mol-ecule 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-hy-droxy-benzotriazole (B) mol-ecule is also close to being planar (r.m.s. deviation = 0.010 Å). In the crystal, weak C-H⋯O and C-H⋯π inter-actions are present. The A and B molecules are linked by an O-H⋯N hydrogen bond.

1-Benz-yloxy-1H-benzotriazole.

In the title compound, C(13)H(11)N(3)O, 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 mol-ecules inter-act via weak C-H⋯π inter-actions and aromatic π-π stacking [centroid-to-centroid distance = 3.731 (12) Å].

1-Benzyl-1H-benzotriazole.

In the title compound, C(13)H(11)N(3), 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) inter-actions and weak π-π stacking inter-actions, with a centroid-centroid distance of 3.673 (11) Å.

1-Benzyl-1H-benzotriazole 3-oxide monohydrate.

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 methyl-ene group, forming a dihedral angle of 81.87 (15)°. In the crystal, mol-ecules are linked into chains along [001] 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] inter-actions.

catena-Poly[[(18-crown-6-κO)potassium]-µ-chlorido-[(1H-benzotriazol-1-ol-κN)chloridoplatinum(II)]-µ-(benzotriazol-1-olato-κN:O)].

In the structure of the title compound, [KPt(C(6)H(4)N(3)O)Cl(2)(C(6)H(5)N(3)O)(C(12)H(24)O(6))], the Pt(II) 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.

Tetra-µ-chlorido-bis-(18-crown-6)platinum(II)dipotassium(I).

In the title compound, [K(2)PtCl(4)(C(12)H(24)O(6))(2)], the Pt(II) ion is located on an inversion centre and is coordinated by four Cl atoms, forming a square-planar geometry. The K(I) ion is coordinated by six O atoms of the crown ether and two bridging Cl atoms. The K(I) ion is displaced by 0.756 (2) Šfrom the mean plane of the six O atoms of the crown ether. The mol-ecules are connected by weak C-H⋯O hydrogen bonds, forming an infinite two-dimensional network parallel to the (10) plane. Intra- and inter-molecular C-H⋯Cl hydrogen bonds are also observed.

catena-Poly[[aqua-sodium(I)]-µ-[2,2'-(disulfanedi-yl)bis-(pyridine N-oxide)]-µ-(pyridine-2-thiol-ato 1-oxide)].

There are two monomeric units in the asymmetric unit of the polymeric title compound, [Na(C(5)H(4)NOS)(C(10)H(8)N(2)O(2)S(2))(H(2)O)](n). The Na(I) ions are six coordinated by four O atoms, one S atom and one water mol-ecule, forming a slightly distorted octa-hedral geometry. An intra-molecular O-H⋯O hydrogen bond stabilizes the conformation of the mol-ecule. The crystal packing is consolidated by inter-molecular O-H⋯O, O-H⋯N and O-H⋯S hydrogen bonds, π-π inter-actions [with centroid-centroid distances of 3.587 (2) Å] together with weak C-H⋯π inter-actions. The mol-ecules are linked into polymeric chains along the b-axis direction.

1-Mesitylmethyl-1Hbenzotriazole 3-oxide.

In the title compound, C(16)H(17)N(3)O, 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 inter-molecular C-H⋯O hydrogen bonds form R(2) (2)(10) motifs. The crystal packing is consolidated by π-π inter-actions with centroid-centroid distances of 3.5994 (12) Štogether with very weak C-H⋯π inter-actions.

4-Aminopyridinium 4-aminobenzoate dihydrate and 4-aminopyridinium nicotinate.

In the title compounds, 4-aminopyridinium 4-aminobenzoate dihydrate, C(7)H(6)NO(2)(-).C(5)H(7)N(2)(+).2H(2)O, (I), and 4-aminopyridinium nicotinate, C(5)H(7)N(2)(+).C(6)H(4)NO(2)(-), (II), the aromatic N atoms of the 4-aminopyridinium cations are protonated. In (I), the asymmetric unit is composed of two 4-aminopyridinium cations, two 4-aminobenzoate anions and four water molecules, and the compound crystallizes in a noncentrosymmetric space group. The two sets of independent molecules of (I) are related by a centre of symmetry which is not part of the space group. In (I), the protonated pyridinium ring H atoms are involved in bifurcated hydrogen bonding with carboxylate O atoms to form an R(1)(2)(4) ring motif. The water molecules link the ions to form a two-dimensional network along the (101) plane. In (II), an intramolecular bifurcated hydrogen bond generates an R(1)(2)(4) ring motif and inter-ion hydrogen bonding generates an R(4)(2)(16) ring motif. The packing of adduct (II) is consolidated via N-H...O and N-H...N hydrogen bonds to form a two-dimensional network along the (102) plane.

1-[2-(4-Isobutyl-phen-yl)propano-yl]thiosemicarbazide.

In the title compound, C(14)H(21)N(3)OS, inter-molecular N-H⋯O inter-actions generate ten-membered rings with R(2) (2)(10) ring motifs, whereas N-H⋯S inter-actions generate eight, 14- and 16-membered rings with R(2) (2)(8), R(4) (4)(14) and R(4) (4)(16) ring motifs, respectively. There are weak intra-molecular N-H⋯π inter-actions which might influence the conformation of the mol-ecule. The compound has a stereogenic center but the space group is centrosymmetic so the mol-ecule exists as a racemate.

Tetra-aqua-bis[3-(2-pyridylsulfan-yl)propionato N-oxide]nickel(II).

In the centrosymmetric title compound, [Ni(C(8)H(8)NO(3)S)(2)(H(2)O)(4)], the Ni(II) ion, which lies on an inversion centre, is six coordinated by four water mol-ecules and two propionate O atoms from two 2-pyridylsulfanylpropionate N-oxide ligands, forming a slightly distorted octa-hedral geometry. An intra-molecular O-H⋯O hydrogen bond stabilizes the mol-ecular conformation. The crystal packing is consolidated by inter-molecular O-H⋯O and C-H⋯O hydrogen bonding.

Bis(2-amino-thia-zolium) succinate succinic acid.

In the title compound, 2C(3)H(5)N(2)S(+)·C(4)H(4)O(4) (2-)·C(4)H(6)O(4), the thia-zolium ring is almost planar, with the maximum deviation from planarity being 0.0056 (8) Šfor the C atom carrying the amine substituent. The N atom of the 2-amino-thia-zole mol-ecule is protonated. Both the anion and the acid lie across inversion centres. The crystal packing is consolidated by inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds. Mol-ecules are stacked down the b axis.

Bis(4-amino-pyridinium) bis(hydrogen oxalate) monohydrate.

In the title compound, 2C(5)H(7)N(2) (+)·2C(2)HO(4) (-)·H(2)O, the asymmetric unit consists of an amino-pyridinium cation, an oxalic actetate anion and a half-molecule of water, which lies on a two-fold rotation axis. The crystal packing is consolidated by inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds. The mol-ecules are linked into an infinite one dimensional chain along [010].

4-Amino-pyridinium hydrogen succinate.

In the title salt, C(5)H(7)N(2) (+)·C(4)H(5)O(4) (-), the asymmetric unit comprises an amino-pyridinium cation and a hydrogen succinate anion as protonation of the aromatic N atom of the 4-amino-pyridine mol-ecule has occurred. The crystal packing is stabilized by inter-molecular O-H⋯O and N-H⋯O hydrogen bonds that lead to a two-dimensional array. Short C-H⋯O contacts are also present.

5-Chloro-8-hydr-oxy-6-methyl-1,4-naphthoquinone.

The mol-ecule of the title compound, C(11)H(7)ClO(3), is planar, with a maximum deviation of 0.0383 (10) Šfrom the naphthoquinone plane. An intra-molecular O-H⋯O hydrogen bond generates an S(6) ring motif. The crystal packing is stabilized by inter-molecular C-H⋯O hydrogen bonds. Short intra-molecular Cl⋯O [2.8234 (8) Å] and O⋯O [2.5530 (11) Å], and inter-molecular Cl⋯Cl [3.2777 (3) Å] contacts further stabilize the crystal structure.

2-(Pyrene-1-yl)-1,3-dithiane.

In the title compound, C(20)H(16)S(2), the pyrene ring is planar [maximum deviation 0.0144 (15) Å] and the dithiane ring adopts a chair conformation. The crystal packing is stabilized by C-H⋯π inter-actions. An intra-molecular C-H⋯S hydrogen bond generates an S(5) ring motif.

1-(2,3,5,6-Tetra-methyl-benz-yloxy)-1H-benzotriazole.

In the title compound, C(17)H(19)N(3)O, 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 inter-actions, with a centroid-centroid distance of 3.8077 (12) Å, together with weak C-H⋯π inter-actions. Mol-ecules are stacked along the a axis.

1,1'-[2,3,5,6-Tetra-methyl-p-phenyl-ene-bis(methyl-eneoxy)]di-1H-benzotriazole.

The complete molecule of the title compound, C(24)H(24)N(6)O(2), is generated by a crystallographic inversion centre. The benzotriazole rings form dihedral angles of 2.10 (7)° with the central aromatic ring. The crystal packing is consolidated by π-π inter-actions, with centroid-centroid distances of 3.6234 (10) Å, together with weak C-H⋯π inter-actions.

Ethyl 2-[(2,6-dimethyl-phen-yl)hydrazono]-3-oxobutanoate.

The title compound, C(14)H(18)N(2)O(3), crystallizes with two independent mol-ecules in the asymmetric unit, having closely comparable geometries. Both mol-ecules are essentially planar [maximum deviations from the mean plane of 0.069 (1) and 0.068 (1) Šfor the two mol-ecules] and contain an intra-molecular N-H⋯O hydrogen bond which generates a ring with graph-set motif S(6). In the crystal, the mol-ecules are linked into chains along the c axis by inter-molecular C-H⋯O hydrogen bonds, and inter-molecular C-H⋯π inter-actions are also present.

4-(But-3-enylamino)-3-nitro-benzoic acid.

The asymmetric unit of the title compound, C(11)H(12)N(2)O(4), contains 12 crystallographically independent mol-ecules, labelled A to L. The nitro and carboxyl groups are twisted slightly out of the plane of the attached benzene ring in all independent mol-ecules except mol-ecules G and D. The nitro group is coplanar with the benzene ring in mol-ecule G and the carboxyl group is coplanar with the benzene ring in mol-ecule D. The orientation of the butyl group with respect to the rest of the mol-ecule is different in some of the independent mol-ecules, with the C-C-C-C torsion angles varying from 104.2 (5) to 126.6 (7)°. In each independent mol-ecule, an intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal structure, the 12 independent mol-ecules exist as six pairs of O-H⋯O hydrogen-bonded R(2) (2)(8) dimers. In addition, C-H⋯O hydrogen bonds are observed.