Bioinorganic Chemistry and Applications / 2014 / Article / Tab 2 / Research Article
Synthesis, Characterization, and Biological Activity of N ′-[(Z )-(3-Methyl-5-oxo-1-phenyl-1,5-dihydro-4H -pyrazol-4-ylidene)(phenyl)methyl]benzohydrazide and Its Co(II), Ni(II), and Cu(II) Complexes Table 2 Crystal data and structure refinement details for HL1 .
Identification code HL1 Formula C24 H20 N4 O2 Formula weight 396.44 Temperature (K) 109(2) Wavelength (Å) 0.71073 Crystal system Triclinic Space group P-1 a /Å9.0895(2) b /Å10.9699(3) c /Å11.0637(3) α/° 89.5410(10) β /°78.6940(10) γ /°66.0660(10) Volume (Å3 ) 985.59(4) 2 Calculated density (Mg/m3 ) 1.336 Absorption coefficient (mm−1 ) 0.088 (000)416 Crystal size (mm3 ) 0.70 × 0.49 × 0.28 mm Theta range for data collection 2.50 to 34.28° Limiting indices , , Reflections collected/unique 29726/7289 [ (int) = 0.0274] Completeness to theta 27.50° 100.0% Absorption correction Multiscan Max. and min. transmission 0.9759 and 0.9412 Refinement method Full-matrix least-squares on Data/restraints/parameters 7289/0/278 Goodness of fit on 1.028 Final indices , indices (all data) , Largest diff. peak and hole 0.440 and −0.289 e A−3