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. 2025 Feb 20;10(8):8745–8755. doi: 10.1021/acsomega.5c00505

Table 1. Comparison of Selected Bond Lengths (Å) and Angles (°) for 3c (the First Polymorph) and 5.

radical 3c values diradical 5 values
O(1)–N(1) 1.2822(15) O(1)–N(1) 1.288(8)
N(1)–C(10) 1.4330(16) N(1)–C(1) 1.427(7)
N(1)–C(13) 1.4890(16) N(1)–C(7) 1.489(8)
O(1)–N(1)–C(10) 115.38(11) O(1)–N(1)–C(1) 116.09(8)
O(1)–N(1)–C(13) 119.21(10) O(1)–N(1)–C(7) 118.54(4)
C(10)–N(1)–C(13) 123.69(11) C(1)–N(1)–C(7) 123.52(4)