Aqua­(di-2-pyridyl­amine-κ2 N 2,N 2′)(pyridine-2,6-dicarboxyl­ato-κ3 O 2,N,O 6)zinc monohydrate

In the title compound, [Zn(C7H3NO4)(C10H9N3)(H2O)]·H2O, the ZnII atom has a distorted octa­hedral coordination geometry. One of the water mol­ecules is coordinated with the ZnII ion and this mol­ecule forms an O—H⋯O inter­action with the lattice water mol­ecule. The pyridine-2,6-dicarboxyl­ate ligand is almost planar (r.m.s. deviation = 0.0242 Å). In the crystal, C—H⋯O, C—H⋯N, O—H⋯O and N—H⋯O hydrogen bonds are present

N′-(2,3-Dihy­droxy­benzyl­idene)isonicotinohydrazide

The title compound, C13H11N3O3, crystallized with two independent mol­ecules in the asymmetric unit. One of the mol­ecules is twisted while the other is almost planar, with dihedral angles of 28.02 (6) and 2.42 (9)°, respectively, between the benzene and pyridine rings. Intra­molecular O—H⋯O and O—H⋯N hydrogen bonds are present in both mol­ecules. The two independent mol­ecules are linked by pairs of O—H⋯O hydrogen bonds. The crystal structure is further stabilized by inter­molecular N—H⋯N hydrogen bonds and C—H⋯N and C—H⋯O inter­actions

Crystal structure and Hirshfeld surface analysis of 2-{[(E)-(3-cyclo butyl-1H-1,2,4-triazol-5-yl)imino] meth yl}phenol

The title compound, C13H14N4O, was developed using the reaction of salicyl aldehyde and 3-amino-5-cyclo butyl-1,2,4-triazole in ethanol under microwave irradiation. This eco-friendly microwave-promoted method proved to be efficient in the synthesis of 2-{[(E)-(3-cyclo butyl-1H-1,2,4-triazol-5-yl)imino] meth yl}phenol in good yields and purity. The title compound is a Schiff base that exists in the phenol-imine tautomeric form and adopts an E configuration. The three independent mol ecules in the asymmetric unit (A, B and C) are not planar, the cyclo butyl and the phenol-imine rings are twisted to each other making a dihedral angle of 67.8 (4)° in mol ecule A, 69.1 (2)° in mol ecule B and 89.1 (2)° in mol ecule C. In each mol ecule an intra molecular O - H⋯N hydrogen bond is present, forming an S(6) ring motif. A Hirshfeld surface analysis was performed to investigate the contributions of the different inter molecular contacts within the supra molecular structure. The major inter actions are H⋯H (53%), C⋯H (19%) and N⋯H (17%) for mol ecule A, H⋯H (50%), N⋯H (20%) and C⋯H (20%) for mol ecule B and H⋯H (57%), C⋯H (14%) and N⋯H (13%) for mol ecule C

(E)-N-(1-Benzothio­phen-3-yl­methyl­idene)-2,6-dimethyl­aniline

In the title compound, C17H15NS, the benzothio­phene residue and the substituted benzene ring are oriented at a dihedral angle of 61.99 (7)°. An inter­molecular C—H⋯π inter­action contributes to the stability of the crystal structure

Crystal structure and Hirshfeld surface analysis of 3-(hydroxymethyl)-3-methyl-2,6-diphenylpiperidin-4-one

A new synthesis of the title compound, C19H21NO2, was developed with good yield and purity using the reaction of 4-hy­droxy-3-methyl-2-butanone, benzaldehyde and ammonium acetate in glacial acetic acid as a solvent. The central piperidine ring adopts a chair conformation, and its least-squares basal plane forms dihedral angles of 85.71 (11) and 77.27 (11)° with the terminal aromatic rings. In the crystal, the mol­ecules are linked by O-H⋯O and C-H⋯O hydrogen bonds into double ribbons. The Hirshfeld surface analysis shows that the most important contributions are from H⋯H (68%), C⋯H/H⋯C (19%) and O⋯H/H⋯O (12%) inter­actions

(E)-5-Phenyl-N-(2-thienylmethyl­ene)-1,3,4-thia­diazole-2-amine

In the title compound, C13H9N3S2, the thio­phene and phenyl rings are oriented at dihedral angles of 8.00 (7) and 6.31 (7)°, respectively, with respect to the central thia­diazole ring. No significant C—H⋯S and π–π inter­actions exist in the crystal structure

Crystal structure and Hirshfeld surface analysis of two 5,11-methanobenzo[g][1,2,4]triazolo[1,5 c][1,3,5]oxadiazocine derivatives

In the title compounds, 9-bromo-2,5-dimethyl-11,12-dihydro-5H-5,11-methanobenzo[g][1,2,4]triazolo[1,5-c][1,3,5]oxadiazocine, C13H13BrN4O (I), and 7-methoxy-5-methyl-2-(pyridin-4-yl)-11,12-dihydro-5H-5,11-methanobenzo[g][1,2,4]triazolo[1,5-c][1,3,5]oxadiazocine, C18H17N5O2 (II), the triazole ring is inclined to the benzene ring by 85.15 (9) and 76.98 (5) in compounds I and II, respectively. In II, the pyridine ring is almost coplanar with the triazole ring, having a dihedral angle of 4.19 (8). In the crystal of I, pairs of N—HN hydrogen bonds link the molecules to form inversion dimers with an R2 2 (8) ring motif. The dimers are linked by C—H and C—Br interactions forming layers parallel to the bc plane. In the crystal of II, molecules are linked by N—HN and C—HO hydrogen bonds forming chains propagating along the b-axis direction. The intermolecular interactions were investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots, and the molecular electrostatic potential surface was also analysed. The Hirshfeld surface analysis of I suggests that the most significant contributions to the crystal packing are HH (42.4%) and OH/HO (17.9%) contacts. For compound II, the HH (48.5%), CH/ HC (19.6%) and NH/HN (16.9%) interactions are the most important contributions.The authors acknowledge the Faculty of Arts and Sciences, Ondokuz Mayis University, Turkey, for the use of the Stoe IPDS 2 diffractometer (purchased under grant F. 279 of the University Research Fund) and the Council of Higher Education of Turkey, Mevlana Exchange Program (MEV-2016-027)

A third monoclinic polymorph of 3,4,5-trihy­droxy­benzoic acid monohydrate

The title compound, C7H6O5·H2O, is a new polymorph of the structures reported by Jiang et al. (2000 ▶) [Acta Cryst. C56, 594–595] and Okabe et al. (2001 ▶) [Acta Cryst. E57, o764–o766]. The gallic acid mol­ecule is essentially planar (r.m.s. deviation = 0.550 Å). An intra­molecular O—H⋯O hydrogen bond occurs in the gallic acid mol­ecule, which is linked to the water mol­ecule by a further O—H⋯O hydrogen bond. In the crystal, the components are linked by O—H⋯O hydrogen bonds. The hydrogen-bonding pattern differs from those reported for the previous polymorphs