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Table 1 The crystal data, experimental conditions and structure refinement parameters for the compounds (I) and (II)

From: Synthesis and crystal structures of 2-methyl-4-aryl-5-oxo-5H-indeno [1,2-b] pyridine carboxylate derivatives

Parameters Compound (I) Compound (II)
Empirical formula C22H17NO3 C22H16ClNO3
Formula weight 343.37 377.81
Wavelength 0.71073 Å
Crystal system, space group Monoclinic, P21/n Triclinic, P-1
Unit cell dimensions a = 7.5078(5) Å a = 9.7750(8) Å; α = 113.199(2)˚
b = 21.0935(15) Å b = 9.8262(4) Å; β = 102.572(3)˚
c = 11.5058(3) Å c = 10.8687(5) Å; γ = 99.791(3)˚
β = 104.876(2)˚
Volume 1761.1(2) Å3 897.65(9) Å3
Z, Calculated density 4, 1.295 g/cm3 2, 1.398 g/cm3
Absorption coefficient 0.086 mm−1 0.236 mm−1
F (000) 720 392
Crystal size 0.23 × 0.20 × 0.19 mm3 0.22 × 0.18 × 0.17 mm3
Theta range for data collection 1.93 to 30.48˚ 2.15 to 30.99˚
Limiting indices −10 ≤ h ≤ 10, −30 ≤ k ≤ 30, −15 ≤ l ≤ 16 −13 ≤ h ≤ 14, −14 ≤ k ≤ 14, −15 ≤ l ≤ 15
Reflections collected/unique 5323/2998 5580/4173
[R (int) = 0.032] [R (int) = 0.0261]
Completeness 99.4% 97.5%
Absorption correction Multi-scan
Refinement method Full-matrix least-squares on F2
Data/restraints/parameters 2998/0/238 5580/0/244
Goodness-of-fit on F2 1.008 1.051
Final R indices [I > 2σ (I)] R1 = 0.0574, wR2 = 0.1494 R1 = 0.0464, wR2 = 0.1334
R indices (all data) R1 = 0.1047, wR2 = 0.1819 R1 = 0.0638, wR2 = 0.1470
Extinction coefficient 0.0098(18) 0
Largest diff. peak and hole 0.333 and −0.240 e.Å−3 0.393 and −0.332 e.Å−3