/pdf/the-crystal-structure-of-phenantroline-k2n-n-bis-6-4hi43fg43s.pdf

The crystal structure of [(phenantroline-κ2N,N′)-bis(6-phenylpyridine-2-carboxylate-κ2N,O)cobalt(II)]monohydrate, C36H26N4O5Co

Crystal structure of azido-k1 N-{6,6′-((((methylazanediyl)bis(propane-3,1-diyl))bis(azanylylidene))bis(methanylylidene))bis(2,4-dibromophenolato)k5 N,N′,N″,O,O′}cobalt(III)-methanol (1/1)), C21H23Br4CoN6O3

Abstract C18H20Br2FeN5O5, monoclinic, P21/c (no. 14), a = 12.4534(3) Å, b = 10.8106(3) Å, c = 16.0339(4) Å, β = 94.0450(10)°, V = 2153.25(10) Å3, Z = 4, R gt(F) = 0276, wR ref(F 2) = 0.0644, T = 170.0 K.

{2-(((2-aminoethyl)imino)methyl)-6-bromophenolato-κ3 N,N′,O}iron(III) nitrate, C18H20Br2FeN5O5

The development of new fungicides is vital for safeguarding crops and ensuring sustainable agriculture. Building on our previous finding that 4-(3,4-dichloroisothiazole)-7-hydroxy coumarins can be used as fungicidal leads, 44 novel coumarin ester derivatives were designed and synthesized to evaluate whether esterification could enhance their fungicidal activity. In vitro fungicidal bioassays indicated that compound 2ai displayed good activity against Alternaria solani, Botrytis cinereal, Cercospora arachidicola, Physalospora piricola and Sclerotinia sclerotiorum, with an EC50 value ranging from 2.90 to 5.56 μg/mL, comparable to the lead compound 1a, with its EC50 value ranging from 1.92 to 9.37 μg/mL. In vivo bioassays demonstrated that compounds 1a, 2ar and 2bg showed comparable, excellent efficacy against Pseudoperonospora cubensis at a dose of 25 µg/mL. Our research shows that the esterification of 4-(3,4-dichloroisothiazole) 7-hydroxycoumarins results in a fungicidal activity equivalent to that of its lead compounds. Furthermore, our density functional theory (DFT) calculations and 3D-QSAR modeling provide a rational explanation of the structure–activity relationship and offer valuable insights to guide further molecular design.

/pdf/design-synthesis-and-fungicidal-activity-of-ester-5o9hvi5h.pdf

Design, Synthesis and Fungicidal Activity of Ester Derivatives of 4-(3,4-Dichloroisothiazole) 7-Hydroxy Coumarin

Abstract C26H22Cl3CoN2O4, triclinic, P 1 ‾ $P\overline{1}$ (no. 2), a = 11.1835(5) Å, b = 11.6782(5) Å, c = 11.9295(5) Å, α = 83.900(3)°, β = 66.911(4)°, γ = 64.232(4)°, V = 1286.83(11) Å3, Z = 2, R gt (F) = 0375, wR ref (F 2) = 0.0899, T = 213.0 K.

Crystal structure of 2-chloro-6-formylphenolato-κ2O,O′-(6,6′-(((2,2-dimethylpropane-1,3-diyl)bis(azaneylylidene))bis(methaneylylidene))bis(2-chlorophenolato)κ4 N,N,O,O′)cobalt(III), C26H22Cl3CoN2O4

/pdf/crystal-structure-of-tris-azido-k1n-n-2-aminoethyl-n-methyl-4i3w9c1mou.pdf

Crystal structure of tris(azido-κ1N)-(N-(2-aminoethyl)-N-methyl-1,3-propanediamine-κ3N,N′,N′′)cobalt(III), C7H19CoN12

Crystal structure of [2,2′-{azanediyl)bis[(propane-3,1-diyl)(azanylylidene)methylylidene]} bis(3,5-dichlorophenolato)-κ2O,O′]-isothiocyanato-κN-iron(III), C21H19Cl4FeN4O2S

Crystal structure of [6,6′-(((2,2-dimethylpropane-1,3-diyl)bis(azanylylidene))bis(methanylylidene))bis(2-chlorophenolato)-κ4N,N′,O,O′]copper(II)

/pdf/crystal-structure-of-6-6-1e-1-e-propane-1-3-diylbis-1be9puja6c.pdf

Man Wang

Papers

Crystal structure of tris(azido-κ1N)-(N-(2-aminoethyl)-N-methyl-1,3-propanediamine-κ3N,N′,N′′)cobalt(III), C7H19CoN12

Crystal structure of [2,2′-{azanediyl)bis[(propane-3,1-diyl)(azanylylidene)methylylidene]} bis(3,5-dichlorophenolato)-κ2O,O′]-isothiocyanato-κN-iron(III), C21H19Cl4FeN4O2S

Crystal structure of [6,6′-(((2,2-dimethylpropane-1,3-diyl)bis(azanylylidene))bis(methanylylidene))bis(2-chlorophenolato)-κ4N,N′,O,O′]copper(II)

Crystal structure of 6,6'‐((1E,1'E)‐(propane‐1,3‐diylbis(azaneylylidene))bis(methaneylylidene))bis(3‐bromophenol), C34H32Br4N4O4

Crystal structure of 4-bromo-N′-[(3-chloro-2-hydroxyphenyl)methylidene]benzohydrazide, C14H7Br2N2O2