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C16H12ClFO5, monclinic, P21/c (no. 14), a = 14.7536(6) Å, b = 7.8281(3) Å, c = 14.0501(7) Å, β = 111.174 (5) ° , V = 1513.13(12) Å3, Z = 4, Rgt(F) = 0.0367, wRref(F2) = 0.0865, T = 296(2) K. [ABSTRACT FROM AUTHOR]

• Five complexes were designed and synthesized with H 2 BCBA ligand by solvothermal condition. • All of the complexes 1–5 have been structurally characterized by infrared spectra (IR), elemental analyses, single-crystal X-ray diffraction analyses and thermogravimetric analyses (TGA). • The reciprocal H...O/H/Br/C contacts dominate over 86 % of total Hirshfeld surface. • Photo-luminescence properties and Solid-state UV–Vis diffuse reflectance spectroscopy of complexes 1–5 were investigated. • Antifungal activity for complexes 1–5 were investigated. Five complexes [Co(BCBA)(H 2 O) 3 ] n (1), [Co(BCBA)(4,4′-Bipy) 2 ·(H 2 O)] n (2), [Cu(BCBA)(H 2 O)] n (3), [Zn(BCBA)(H 2 O)] n (4) and [Cd(BCBA)(2,2′-Bipy)(H 2 O)·(H 2 O)] n (5) (H 2 BCBA= 5‑bromo-2-(carboxymethoxy)benzoic acid, 4,4′-Bipy = 4,4′-bipyridine and 2,2′-Bipy = 2,2′-bipyridine) have been synthesized with H 2 BCBA ligand by solvothermal condition. All the complexes have been structurally characterized by infrared spectra (IR), elemental analyses and single-crystal X-ray diffraction analyses. Complex 1 is a zero-dimensional structure, and complexes 2–5 are one-dimensional chain structure. Furthermore, thermogravimetric analyses (TGA), Hirshfeld surface analysis, photo-luminescence properties, Solid-state UV–Vis diffuse reflectance spectroscopy and antifungal activity for complexes 1–5 were investigated. The reciprocal H···O/H/Br/C contacts dominate over 86 % of total Hirshfeld surface. Complexes 1–5 have certain inhibitory effects on 8 pathogenic fungi. Among them, complex 5 has the strongest antibacterial activity against Rhizoctonia solani AG1, Sphaeropsis sapinea and Colletotrichum fructicola , and the inhibitory rate reached 100 %. Five complexes were synthesized and structurally characterized. The reciprocal H...O/H/Br/C contacts dominate over 86 % of total Hirshfeld surface. Photo-luminescence properties and Solid-state UV–Vis diffuse reflectance spectroscopy were investigated. Complex 5 has the strongest antibacterial activity and the inhibitory rate reached 100 %. [Display omitted] [ABSTRACT FROM AUTHOR]

C9H11BrNiO8, monoclinic, P21/c (no. 14), a = 8.5077(16) Å, b = 6.7688(13) Å, c = 22.459(4) Å, β = 98.188(2)°, V = 1280.2(4) Å3, Z = 4, Rgt(F) = 0.0256, wRref(F2) = 0.0585, T = 296(2) K. [ABSTRACT FROM AUTHOR]

C40H28N4O10Co, monoclinic, C2/c (no. 15), a = 29.686(3) Å, b = 6.2315(4) Å, c = 21.0994(15) Å, β = 114.727(8)°, V = 3545.3(5) Å3, Z = 4, Rgt(F) = 0.0386, wRref(F2) = 0.0897, T = 293(2) K. CCDC no.: 2054400 [ABSTRACT FROM AUTHOR]

Abstract: By utilizing the flexible quadritopic ligand, tetrakis(3-pyridyloxymethyl)methane (L), two novel coordination polymers have been synthesized and structurally characterized. {[Cu3(L)2(acetate)6]·10(H2O)}n has a 1D chain crystal structure with a SP 2-periodic net with the Schläfli symbol {36·46·53} modeled by acetate ions. In {[Cu2(L)(benzoate)4]·2(CH3OH)·H2O}n, we substituted the acetate with benzoate and obtained 2D crystal structure with an novel 2, 3, 4 net with the Schläfli symbol {4·82}2{42·82·102}{8}. The structural results show that utilizing a flexible ligand is a good approach to achieve diversity in coordination polymer structures and could be easily affected by the carboxylate anions.Graphical Abstract: Two novel coordination polymers assembled from the tetrakis(3-pyridyloxymethylene) methane(L) with copper(II) ions and different carboxylate. Crystal structures and topological analyses of these compounds are presented. [ABSTRACT FROM AUTHOR]

At present, phenolic acid derivatives and triazole derivatives have a good antifungal effect, which has attracted widespread attention. A series of novel phenolic acid triazole derivatives were synthesized, and their structures were characterized by IR, MS, NMR, and X-ray crystal diffraction. Compound methyl 4-(2-bromoethoxy)benzoate, methyl 4-(2-(1H-1,2,4-triazol-1-yl) ethoxy)benzoate, 4-(2-(1H-1,2,4-triazol-1-yl)ethoxy)benzoic acid and 4-(2-(1H-1,2,4-triazol-1-yl) ethoxy)-3-methoxybenzoic acid crystallize in the monoclinic system with space group P21/n, the monoclinic system with space group P21, the monoclinic system with space group P21 and the orthorhombic system with space group Pca21, respectively. At a concentration of 100 μg/mL and 200 μg/mL, the antifungal activity against seven plant pathogen fungi was determined. Compound methyl 4-(2-bromoethoxy)benzoate has the best inhibitory effect on Rhizoctonia solani AG1, and the inhibitory rate reached 88.6% at 200 μg/mL. The inhibitory rates of compound methyl 4-(2-(1H-1,2,4-triazol-1-yl) ethoxy)benzoate against Fusarium moniliforme and Sphaeropsis sapinea at a concentration of 200 μg/mL were 76.1% and 75.4%, respectively, which were better than that of carbendazim. [ABSTRACT FROM AUTHOR]

C16H16BrNO4S, monoclinic, P21/c (no. 14), a = 9.649(4) Å, b = 15.108(4) Å, c = 14.994(5) Å, β = 128.65(2)°, V = 1707.0(11) Å3, Z = 4, Rgt(F) = 0.0444, wRref(F2) = 0.0999, T = 293(2) K. [ABSTRACT FROM AUTHOR]

C66H34N4O12F12Er2, triclinic, P1̄ (no. 2), a = 11.8934(5) Å, b = 12.0041(4) Å, c = 12.4578(5) Å, α = 68.718(4)°, β = 64.205(4)°, γ = 87.053(3)°, V = 1480.09(12) Å3, Z = 1, Rgt(F) = 0.0326, wRref(F2) = 0.0626, T = 293(2) K. [ABSTRACT FROM AUTHOR]

C48H30N4O12F12Cu3, monoclinic, P21/n (no. 14), a = 12.9112(5) Å, b = 28.1127(6) Å, c = 14.2324(5) Å, β = 110.665(4)°, V = 4833.5(3) Å3, Z = 4, Rgt(F) = 0.0489, wRref(F2) = 0.1108, T = 173(10) K. [ABSTRACT FROM AUTHOR]