Table 3 Valence angles of pyribencarb E and Z
Angle | Angle (°) | |
|---|---|---|
Pyribencarb E | Pyribencarb Z | |
C(2)–C(1)–H(1A) | 109.5 | 109.5 |
C(2)–C(1)–H(1B) | 109.5 | 109.5 |
H(1A)–C(1)–H(1B) | 109.5 | 109.5 |
C(2)–C(1)–H(1C) | 109.5 | 109.5 |
H(1A)–C(1)–H(1C) | 109.5 | 109.5 |
H(1B)–C(1)–H(1C) | 109.5 | 109.5 |
N(1)–C(2)–C(3) | 121.85(12) | 121.76(14) |
N(1)–C(2)–C(1) | 116.59(11) | 117.28(13) |
C(3)–C(2)–C(1) | 121.54(12) | 120.95(15) |
C(4)–C(3)–C(2) | 119.42(12) | 119.44(16) |
C(4)–C(3)–H(3) | 120.3 | 120.3 |
C(2)–C(3)–H(3) | 120.3 | 120.3 |
C(3)–C(4)–C(5) | 119.06(12) | 118.96(15) |
C(3)–C(4)–H(4) | 120.5 | 120.5 |
C(5)–C(4)–H(4) | 120.5 | 120.5 |
C(6)–C(5)–C(4) | 118.73(12) | 119.23(14) |
C(6)–C(5)–H(5) | 120.6 | 120.4 |
C(4)–C(5)–H(5) | 120.6 | 120.4 |
N(1)–C(6)–C(5) | 122.72(11) | 121.99(14) |
N(1)–C(6)–C(7) | 116.59(12) | 116.43(12) |
C(5)–C(6)–C(7) | 120.66(12) | 121.58(13) |
O(1)–C(7)–C(6) | 108.78(10) | 112.82(12) |
O(1)–C(7)–H(7A) | 109.9 | 109 |
C(6)–C(7)–H(7A) | 109.9 | 109 |
O(1)–C(7)–H(7B) | 109.9 | 109 |
C(6)–C(7)–H(7B) | 109.9 | 109 |
H(7A)–C(7)–H(7B) | 108.3 | 107.8 |
N(2)–C(8)–C(10) | 116.20(11) | 125.39(14) |
N(2)–C(8)–C(9) | 123.62(12) | 115.82(13) |
C(10)–C(8)–C(9) | 120.18(11) | 118.79(13) |
C(8)–C(9)–H(9A) | 109.5 | 109.5 |
C(8)–C(9)–H(9B) | 109.5 | 109.5 |
H(9A)–C(9)–H(9B) | 109.5 | 109.5 |
C(8)–C(9)–H(9C) | 109.5 | 109.5 |
H(9A)–C(9)–H(9C) | 109.5 | 109.5 |
H(9B)–C(9)–H(9C) | 109.5 | 109.5 |
C(11)–C(10)–C(15) | 118.19(11) | 118.51(13) |
C(11)–C(10)–C(8) | 120.30(11) | 120.43(13) |
C(15)–C(10)–C(8) | 121.51(11) | 121.05(13) |
C(12)–C(11)–C(10) | 121.06(12) | 120.37(14) |
C(12)–C(11)–H(11) | 119.5 | 119.8 |
C(10)–C(11)–H(11) | 119.5 | 119.8 |
C(13)–C(12)–C(11) | 119.07(12) | 119.83(14) |
C(13)–C(12)–H(12) | 120.5 | 120.1 |
C(11)–C(12)–H(12) | 120.5 | 120.1 |
C(12)–C(13)–C(14) | 122.34(12) | 121.90(13) |
C(12)–C(13)–Cl(1) | 118.20(10) | 118.33(11) |
C(14)–C(13)–Cl(1) | 119.45(10) | 119.77(11) |
C(15)–C(14)–C(13) | 117.04(11) | 117.06(12) |
C(15)–C(14)–C(16) | 123.09(11) | 122.43(13) |
C(13)-C(14)–C(16) | 119.87(11) | 120.51(12) |
C(14)–C(15)–C(10) | 122.26(11) | 122.28(13) |
C(14)–C(15)–H(15) | 118.9 | 118.9 |
C(10)–C(15)–H(15) | 118.9 | 118.9 |
N(3)–C(16)–C(14) | 115.66(11) | 113.29(12) |
N(3)–C(16)–H(16A) | 108.4 | 108.9 |
C(14)–C(16)–H(16A) | 108.4 | 108.9 |
N(3)–C(16)–H(16B) | 108.4 | 108.9 |
C(14)–C(16)–H(16B) | 108.4 | 108.9 |
H(16A)–C(16)–H(16B) | 107.4 | 107.7 |
O(2)–C(17)–N(3) | 126.08(14) | 124.87(15) |
O(2)–C(17)–O(3) | 123.46(14) | 123.72(14) |
N(3)–C(17)––O(3) | 110.45(11) | 111.40(12) |
O(3)–C(18)–H(18A) | 109.5 | 109.5 |
O(3)–C(18)–H(18B) | 109.5 | 109.5 |
H(18A)–C(18)–H(18B) | 109.5 | 109.5 |
O(3)–C(18)––H(18C) | 109.5 | 109.5 |
H(18A)–C(18)–H(18C) | 109.5 | 109.5 |
H(18B)–C(18)–H(18C) | 109.5 | 109.5 |
C(2)–N(1)–C(6) | 118.20(10) | 118.60(12) |
C(8)–N(2)–O(1) | 111.28(10) | 111.88(11) |
C(17)–N(3)–C(16) | 121.05(11) | 119.83(12) |
C(17)–N(3)–H(3A) | 119.5 | 120.1 |
C(16)–N(3)–H(3A) | 119.5 | 120.1 |
C(7)–O(1)–N(2) | 107.62(9) | 108.51(10) |
C(17)–O(3)–C(18) | 116.84(12) | 115.53(14) |