In Silico Molecular Docking and In Vitro Antidiabetic Studies of Dihydropyrimido[4,5-a]acridin-2-amines

Table 2

The crystallographic data and structure refinement parameters of compound 3f.

Empirical formula	C27 H18 Cl2 N4
Formula weight	469.35
Temperature	293(2) K
Wavelength	0.71073 Å
Crystal system, space group	Triclinic, P-1
Unit cell dimensions	𝑎 = 9.9421(5) Å,  𝛼 = 67.248(2)°.
	𝑏 = 10.9553(5) A, 𝛽 = 78.530(2)°.
	𝑐 = 11.5126(5) A, 𝛾 = 89.875(2)°.
Volume	1129.39(9) A^3
𝑍	2
Calculated density	1.380 Mg/m^3
Absorption coefficient	0.311 mm^−1
𝐹(000)	484
Crystal size	0.35 × 0.30 × 0.25 mm
Theta range for data collection	1.96 to 25.00°.
Limiting indices	−11 ≤  ℎ ≤ 11, −12 ≤ 𝑘 ≤ 12, −13 ≤ 𝑙 ≤ 13
Reflections collected/unique	19503/3929 [𝑅(int) = 0.0276]
Completeness to theta = 25.00	98.8%
Absorption correction	Semiempirical from equivalents
Max. and min. transmission	0.9635 and 0.8623
Refinement method	Full-matrix least squares on 𝐹^2
Data/restraints/parameters	3929/6/308
Goodness-of-fit on 𝐹^2	1.200
Final 𝑅 indices [𝐼 > 2 sigma(𝐼)]	𝑅1=0.0569, 𝑤𝑅2=0.1944
𝑅 indices (all data)	𝑅1=0.0712, 𝑤𝑅2=0.2074
Largest diff. peak and hole	0.383 and −0.385 𝑒·A^−3