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Table 6 The crystallographic data for the measured compounds [36]

From: Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents

Compound No. Crystal Data
2a Clear light orange Block, C15H10Cl2N2O2, M = 321.16, triclinic, a = 6.3570(3) Å, b = 7.2377(3) Å, c = 16.7375(7) Å, V = 720.87(5) Å3, α = 80.359(3)°, β = 82.469(3)°, γ = 72.360(3)°, space group: P −1, Z = 2, Dcalc = 1.480 g cm−3 , No. of reflection measured 2494, 2θmax = 66.60°, R1 = 0.042.
2h Clear light yellow Block, C15H11ClN2O2, M = 286.71, triclinic, a = 6.0147(2) Å, b = 7.3767(2) Å, c = 16.5968(4) Å, V = 672.60(3) Å3, α = 80.941(2)°, β = 85.3620(10)°, γ = 67.6940(10)°, space group: P −1, Z = 2, Dcalc = 1.416 g cm−3 , No. of reflection measured 2324, 2θmax = 66.74°, R1 = 0.036.
8a Yellow platelet crystal, C20H16Cl2N4O2, M = 415.28, triclinic, a = 7.796(1) Å, b = 11.004(2) Å, c = 12.229(2) Å, V = 987.0(3) Å3, α = 70.789(8)°, β = 89.602(7)°, γ = 85.231(7)°, space group: P-1, Z = 2, Dcalc = 1.397 g cm−3 , No. of reflection measured 3995, 2θmax = 52.7°, R1 = 0.064.
8b Clear light orange flake, C20H16ClN5O4, M = 425.83, monoclinic, a = 27.918(4) Å, b = 6.632(8) Å, c = 24.125(3) Å,V = 4082.0(9) Å3, α = γ = 90.00°, β = 113.965(9)°, space group: C 1 2/c 1, Z = 8, Dcalc = 1.386 g cm−3 , No. of reflection measured 3434, 2θmax = 66.59°, R1 = 0.082.
8c Orange prism crystal, C20H16Cl2N4O2, M = 415.28, orthorhombic, a = 7.5481 (6) Å, b = 21.382(2) Å, c = 27.862(2) Å, V = 4496.8(6) Å3, α = β = γ = 90.0°, space group: Pbca, Z = 8, Dcalc = 1.404 g cm−3 , No. of reflection measured 3923, 2θmax = 50.0°, R1 = 0.067.
8h Yellow block crystal, C18H10Cl2N6O2, M = 413.23, triclinic, a = 8.918(1) Å, b = 10.696(1) Å, c = 13.217(2) Å, V =1132.2(2) Å3, α = 73.044(6)°, β = 81.609(6)°, γ = 70.078(5)°, space group: P-1, Z = 2, Dcalc = 1.441 g cm−3 , No. of reflection measured 4609, 2θmax = 52.7°, R1 = 0.047.
10a Clear light colorless block, C20H15ClN2O4, M = 382.81, monoclinic, a = 9.8702(7) Å, b = 18.7297(14) Å, c = 19.4912(15) Å, V = 3600.1(5) Å3, α = γ = 90°, β = 92.397(4)°, space group: P 1 21/c 1, Z = 8, Dcalc = 1.412 g cm−3 , No. of reflection measured 6168, 2θmax = 66.63°, R1 = 0.049.
11 Yellow needle crystal, C22H17Cl2N5O5, M = 502.32, orthorhombic, a = 26.252(2) Å, b = 7.3051(5) Å, c = 24.022(2) Å, V = 4606.8(6) Å3, α = β = γ = 90°, space group: Pbcn, Z = 8, Dcalc = 1.448 g cm−3 , No. of reflection measured 4017, 2θmax = 50.0°, R1 = 0.059.
12 Yellow needle crystal, C24H19Cl2N5O6, M = 544.35, monoclinic, a = 8.027(1) Å, b = 14.586(2) Å, c = 21.531(3) Å, V = 2499.1(5) Å3, α = γ = 90°, β = 97.548(7)°, space group: P21/c, Z = 4, Dcalc = 1.447 g cm−3 , No. of reflection measured 5078, 2θmax = 52.7°, R1 = 0.046.