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. 2014 Oct 24;19(11):17187–17201. doi: 10.3390/molecules191117187

Table 2.

Selected geometric parameters (Å, °) of compound 1a.

Bond Experimental Calculated
Cl1-C1 1.7320 (13) 1.7314
Cl2-C5 1.7295 (14) 1.7405
O1-N1 1.222 (2) 1.2370
O2-N1 1.211 (2) 1.2372
N1-C8 1.4563 (18) 1.4511
Atom Angle Experimental Calculated
O1-N1-O2 124.37 (14) 125.1111
O1-N1-C8 115.73 (14) 115.6492
O2-N1-C8 119.90 (14) 119.2397
Cl1-C1-C2 117.62 (11) 124.7209
Cl1-C1-C6 120.34 (9) 113.6358
Cl2-C5-C4 118.18 (11) 114.3525
Cl2-C5-C6 119.58 (10) 123.4094
N1-C8-C7 120.57 (13) 119.8515