Items for "Calcium channel modulators"

Crystal and molecular structures of 4-substituted 3,4-dihydropyrimidin-2(1H)-ones studied by X-ray and AM1 and B3LYP calculations

(1) C₁₃H₁₃N₃O₅, Mr = 291.26, P-1, a = 7.4629(9), b = 7.9203(9), c = 12.126(2) Å, α = 86.804(5), β = 78.471(7), γ = 69.401(8)°, V = 657.3(2) ų, Z = 2, R₁ = 0.0454; (2) C₁₁H₁₂N₂O₄, Mr = 236.23, Pbca, a = 7.2713(9), b = 14.234(1), c = 20.848(3) Å, V = 2157.8(4) ų, Z = 8, R₁ = 0.0504; (3) C₁₃H₁₃N₂O₃Cl, Mr = 280.70, P2/n, a = 17.344(2), b = 9.237(1), c = 18.398(2) Å; β = 92.61(2)°, V = 2944.4(6) ų, Z = 8, R₁ = 0.0714...

Keywords: Calcium channel modulators, Dihydropyrimidinones, Single crystal structure analysis, X-ray diffraction, Semiempirical AM1