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Table 1 Experimental data of compound A and B

From: New bactericide derived from Isatin for treating oilfield reinjection water

Empirical formula C8H6N2O2
Formula weight 162.15
Temperature 293(2)
Wavelength (Mo Kα) 0.71073
Crystal system Monoclinic
Space group P2(1)
Crystal data  
a (Ǻ) 3.8800(6)
b (Ǻ) 10.180(9)
c (Ǻ) 9.0500(6)
α (º) 90.00
β (º) 93.90(3)
γ (º) 90.00
Volume 356.63(12)
Z 2
Density (mg/m3) 1.510
Absorption coefficient 0.112
F (000) 168
Crystal size 0.20 × 0.22 × 0.30 mm3
Theta range for data collection (°) 1.9 to 27.3
Index ranges −4 ≤ h ≤ 5;
−13 ≤ k ≤ 12;
−11 ≤ l ≤ 12
Reflections collected 3112
Independent reflections 2190
Reflections theta (°) 2.26 to 28.27
Absorption correction transmission 0.9440 to 0.9861
Reflections with I ≥ 2σ(I) 1427
Number of parameters 109
Goodness-of-fit on F2 1.006
Final R indices [I>2 s(I)] R1 = 0.1884;
wR2 = 0.1323
R indices (all data) R1 = 0.0674;
wR2 = 0.1027
Refine different density −0.224 to 0.176