Benzene-1,3,5-tricarboxylic acid–1,2-bis(1,2,4-triazol-4-yl)ethane–water (4/1/2)

Abstract

The title compound, 4C9H6O6·C6H8N6·2H2O, crystallizes in a layer structure where each sheet is composed of anellated hydrogen-bonded rings of six distinct sizes: R 2 2(16), R 3 3(18), R 4 4(12), R 4 4(18), R 4 4(22) and R 4 4(25). The two largest rings, viz. R 4 4(22) and R 4 4(25), are associated with O—H⋯N bonds from the carboxyl groups to the triazole rings. The typical head-to-tail carbox­yl–carboxyl R 2 2(8) motif is not observed.

Crystal Structure Solid-State Cross Polarization Magic Angle Spinning13C NMR Correlation in Luminescent d10Metal-Organic Frameworks Constructed with the 1,2-Bis(1,2,4-triazol-4-yl)ethane Ligand

“…Its neighboring methylene group (C3) has a bonding angle of 113.8(4)°. The other btre-methylene groups in 1 − 10 and in the benzene-1,3,5-tricarboxylate adduct of btre lie between 109.6(4)° and 113.8(3)°, typically being somewhat widened relative to the tetrahedral angle. Angular distortions can affect the MAS chemical shift .…”

“…Typically the btr ligand links transition metal(II) ions using only one nitrogen atom from each 1,2,4-triazole ring resulting in one-, , two-, and three-dimensional (1D, 2D, 3D) networks. − When spacers, like methylene groups, are introduced between the two 1,2,4-triazole rings, the resulting ligand acquires more flexibility. Therefore, we selected 1,2-bis(1,2,4-triazol-4-yl)ethane (abbreviated as btre) . This btre ligand must not be mistaken with the more widely employed 1,2-bis(1,2,4-triazol- 1 -yl)ethane and other ∼alkane ligands (Scheme ) .…”

Crystal structures and solid-state CPMAS 13C NMR correlations in luminescent zinc(II) and cadmium(II) mixed-ligand coordination polymers constructed from 1,2-bis(1,2,4-triazol-4-yl)ethane and benzenedicarboxylate

“…Therefore, we selected 1,2-bis (1,2,4-triazol-4-yl)ethane (abbreviated as btre). 29 This btre ligand, which must not be mistaken with the 1,2bis (1,2,4-triazol-1-yl)ethane ligand, 30 has been scarcely used in metal-complex or MOF synthesis.…”

(Acetato-κO)aqua(1H-imidazole-κN3)(picolinato-κ2N,O)copper(II) 0.87-hydrate: aZ′>1 structure

“…The crystal packing is governed by O-HÁ Á ÁO and N-HÁ Á ÁO hydrogen bonding (Table 1 and Fig. 2), the geometric parameters of which are within the normal range (Habib & Janiak, 2008;Wisser & Janiak, 2007a,b). Complementary N-HÁ Á ÁO hydrogen bonds are formed between the two symmetry-independent complex molecules from their imidazole N-H to the uncoordinated picolinate carboxylate O atom (Fig.…”