cis-1b | trans-1b | |
---|---|---|
6-membered ring | ||
Bond lengths | 1.5188(19)–1.5413(15) | 1.5237(15)–1.5465(14) |
Bond angles | 109.74(10)–114.24(10) | 109.08(8)–112.71(9) |
Puckering: q/θ/φ | 0.5500(14)/174.57(15)/29.8(2) | 0.5676(12)/176.49(12)/208(2) |
Torsion angles | 49.00(14)–57.57(14) | 52.52(12)–57.52(12) |
5-membered ring | ||
C1–N1 | 1.3314(15) | 1.3316(14) |
C–C–C | 100.79(9)–108.71(10) | 102.30(8)–109.09(9) |
C1–N1–C2 | 114.37(10) | 114.1(1) |
Puckering: q/φ | 0.2995(14)/282.7(2) | 0.2546(12)/108.2(3) |
Torsion angles | 2.56(13)–29.11(12) | 0.75(13)–24.63(12) |
6- to 5-memb. ring | ||
Dihedric angle | 81.806(43) | 81.007(42) |
Torsion angles | ||
C1–C4–C5–C6 | − 73.02(13) | − 177.14(8) |
C1–C4–C9–C8 | 73.72(13) | − 176.63(8) |
C3–C4–C9–C8 | − 176.41(10) | 70.74(11) |
C3–C4–C5–C6 | 173.04(10) | − 68.60(1) |
Lactam ring plane | ||
Max. deviation (C4) | − 0.0299(10) | 0.0208(9) |
Distance to O1 | − 0.3384(19) | − 0.2321(18) |
Distance to N1 | 0.4900(16) | 0.3764(14) |
Distance to C2 | 0.7795(19) | 0.6460(19) |