Skip to main content
. 2009 Jan 8;65(Pt 2):o249. doi: 10.1107/S1600536809000051
Cl1—C12 1.732 (3) Cl5B—C25B 1.731 (2)
Cl2—C16 1.742 (3) Cl6B—C26B 1.723 (2)
Cl3—C22 1.719 (2) C1B—O1B 1.216 (3)
Cl4—C23 1.734 (3) C1B—N1B 1.376 (3)
Cl5—C25 1.725 (2) C1B—C11B 1.511 (3)
Cl6—C26 1.722 (2) N1B—C2B 1.387 (3)
C1—O1 1.215 (3) N1B—H1B 0.83 (3)
C1—N1 1.378 (3) C2B—N2B 1.343 (3)
C1—C11 1.506 (3) C2B—S1B 1.669 (2)
N1—C2 1.388 (3) N2B—C21B 1.417 (3)
N1—H1 0.80 (3) N2B—H2B 0.78 (3)
C2—N2 1.338 (3) C11B—C16B 1.390 (4)
C2—S1 1.670 (2) C11B—C12B 1.395 (3)
N2—C21 1.414 (3) C12B—C13B 1.394 (3)
N2—H2 0.78 (3) C13B—C14B 1.386 (4)
C11—C12 1.392 (4) C13B—H13B 0.9500
C11—C16 1.397 (4) C14B—C15B 1.387 (4)
C12—C13 1.396 (3) C14B—H14B 0.9500
C13—C14 1.375 (5) C15B—C16B 1.389 (3)
C13—H13 0.9500 C15B—H15B 0.9500
C14—C15 1.380 (5) C21B—C26B 1.395 (3)
C14—H14 0.9500 C21B—C22B 1.404 (3)
C15—C16 1.388 (3) C22B—C23B 1.393 (3)
C15—H15 0.9500 C23B—C24B 1.383 (4)
C21—C22 1.397 (3) C24B—C25B 1.388 (4)
C21—C26 1.400 (3) C24B—H24B 0.9500
C22—C23 1.398 (3) C25B—C26B 1.397 (3)
C23—C24 1.380 (3) Cl1C—C12C 1.728 (4)
C24—C25 1.384 (3) Cl2C—C16C 1.737 (4)
C24—H24 0.9500 Cl3C—C22C 1.722 (2)
C25—C26 1.399 (3) Cl4C—C23C 1.729 (2)
Cl1A—C12A 1.745 (3) Cl5C—C25C 1.726 (2)
Cl2A—C16A 1.732 (3) Cl6C—C26C 1.718 (2)
Cl3A—C22A 1.728 (2) C1C—O1C 1.216 (3)
Cl4A—C23A 1.727 (2) C1C—N1C 1.377 (3)
Cl5A—C25A 1.730 (2) C1C—C11C 1.501 (3)
Cl6A—C26A 1.721 (2) N1C—C2C 1.391 (3)
C1A—O1A 1.218 (3) N1C—H1C 0.86 (3)
C1A—N1A 1.377 (3) C2C—N2C 1.338 (3)
C1A—C11A 1.505 (3) C2C—S1C 1.671 (2)
N1A—C2A 1.391 (3) N2C—C21C 1.419 (3)
N1A—H1A 0.84 (3) N2C—H2C 0.77 (3)
C2A—N2A 1.332 (3) C11C—C12C 1.393 (4)
C2A—S1A 1.671 (2) C11C—C16C 1.395 (4)
N2A—C21A 1.418 (3) C12C—C13C 1.405 (4)
N2A—H2A 0.75 (3) C13C—C14C 1.379 (7)
C11A—C16A 1.388 (4) C13C—H13C 0.9500
C11A—C12A 1.394 (4) C14C—C15C 1.373 (7)
C12A—C13A 1.386 (4) C14C—H14C 0.9500
C13A—C14A 1.389 (6) C15C—C16C 1.385 (4)
C13A—H13A 0.9500 C15C—H15C 0.9500
C14A—C15A 1.364 (6) C21C—C26C 1.394 (3)
C14A—H14A 0.9500 C21C—C22C 1.404 (3)
C15A—C16A 1.400 (4) C22C—C23C 1.394 (3)
C15A—H15A 0.9500 C23C—C24C 1.387 (3)
C21A—C26A 1.395 (3) C24C—C25C 1.386 (3)
C21A—C22A 1.395 (3) C24C—H24C 0.9500
C22A—C23A 1.395 (3) C25C—C26C 1.400 (3)
C23A—C24A 1.383 (3) C1L—Cl13 1.734 (3)
C24A—C25A 1.389 (3) C1L—Cl11 1.760 (3)
C24A—H24A 0.9500 C1L—Cl12 1.771 (3)
C25A—C26A 1.395 (3) C1L—H1L 1.0000
Cl1B—C12B 1.739 (3) C2L—Cl22 1.664 (6)
Cl2B—C16B 1.744 (3) C2L—Cl23 1.679 (5)
Cl3B—C22B 1.721 (2) C2L—Cl21 1.734 (4)
Cl4B—C23B 1.727 (2) C2L—H2L 1.0000
O1—C1—N1 124.5 (2) N2B—C2B—N1B 115.65 (19)
O1—C1—C11 121.3 (2) N2B—C2B—S1B 124.06 (16)
N1—C1—C11 114.20 (19) N1B—C2B—S1B 120.28 (16)
C1—N1—C2 127.01 (19) C2B—N2B—C21B 122.98 (19)
C1—N1—H1 121 (2) C2B—N2B—H2B 118 (3)
C2—N1—H1 112 (2) C21B—N2B—H2B 119 (3)
N2—C2—N1 115.25 (19) C16B—C11B—C12B 118.1 (2)
N2—C2—S1 124.24 (17) C16B—C11B—C1B 120.2 (2)
N1—C2—S1 120.51 (17) C12B—C11B—C1B 121.6 (2)
C2—N2—C21 123.69 (19) C13B—C12B—C11B 121.2 (3)
C2—N2—H2 116 (3) C13B—C12B—Cl1B 119.1 (2)
C21—N2—H2 120 (3) C11B—C12B—Cl1B 119.66 (18)
C12—C11—C16 117.8 (2) C14B—C13B—C12B 118.7 (3)
C12—C11—C1 121.0 (2) C14B—C13B—H13B 120.6
C16—C11—C1 121.1 (2) C12B—C13B—H13B 120.6
C11—C12—C13 121.2 (3) C13B—C14B—C15B 121.7 (2)
C11—C12—Cl1 119.48 (19) C13B—C14B—H14B 119.1
C13—C12—Cl1 119.3 (2) C15B—C14B—H14B 119.1
C14—C13—C12 119.0 (3) C14B—C15B—C16B 118.1 (3)
C14—C13—H13 120.5 C14B—C15B—H15B 120.9
C12—C13—H13 120.5 C16B—C15B—H15B 120.9
C13—C14—C15 121.7 (3) C15B—C16B—C11B 122.1 (2)
C13—C14—H14 119.2 C15B—C16B—Cl2B 119.0 (2)
C15—C14—H14 119.2 C11B—C16B—Cl2B 118.85 (18)
C14—C15—C16 118.6 (3) C26B—C21B—C22B 119.45 (19)
C14—C15—H15 120.7 C26B—C21B—N2B 120.8 (2)
C16—C15—H15 120.7 C22B—C21B—N2B 119.6 (2)
C15—C16—C11 121.7 (3) C23B—C22B—C21B 119.5 (2)
C15—C16—Cl2 119.6 (2) C23B—C22B—Cl3B 120.96 (18)
C11—C16—Cl2 118.68 (19) C21B—C22B—Cl3B 119.45 (17)
C22—C21—C26 119.7 (2) C24B—C23B—C22B 121.0 (2)
C22—C21—N2 120.4 (2) C24B—C23B—Cl4B 118.59 (18)
C26—C21—N2 119.7 (2) C22B—C23B—Cl4B 120.43 (19)
C21—C22—C23 119.6 (2) C23B—C24B—C25B 119.6 (2)
C21—C22—Cl3 119.26 (17) C23B—C24B—H24B 120.2
C23—C22—Cl3 121.09 (19) C25B—C24B—H24B 120.2
C24—C23—C22 120.5 (2) C24B—C25B—C26B 120.3 (2)
C24—C23—Cl4 118.72 (18) C24B—C25B—Cl5B 118.83 (18)
C22—C23—Cl4 120.70 (19) C26B—C25B—Cl5B 120.84 (19)
C23—C24—C25 120.1 (2) C21B—C26B—C25B 120.1 (2)
C23—C24—H24 120.0 C21B—C26B—Cl6B 119.53 (17)
C25—C24—H24 120.0 C25B—C26B—Cl6B 120.37 (18)
C24—C25—C26 120.4 (2) O1C—C1C—N1C 124.3 (2)
C24—C25—Cl5 118.72 (18) O1C—C1C—C11C 121.2 (2)
C26—C25—Cl5 120.89 (19) N1C—C1C—C11C 114.53 (19)
C25—C26—C21 119.6 (2) C1C—N1C—C2C 126.88 (19)
C25—C26—Cl6 121.24 (18) C1C—N1C—H1C 115.9 (19)
C21—C26—Cl6 119.14 (17) C2C—N1C—H1C 116.9 (19)
O1A—C1A—N1A 124.5 (2) N2C—C2C—N1C 115.53 (19)
O1A—C1A—C11A 121.1 (2) N2C—C2C—S1C 124.22 (16)
N1A—C1A—C11A 114.40 (19) N1C—C2C—S1C 120.25 (16)
C1A—N1A—C2A 126.97 (19) C2C—N2C—C21C 123.16 (19)
C1A—N1A—H1A 114.3 (19) C2C—N2C—H2C 113 (2)
C2A—N1A—H1A 118.7 (19) C21C—N2C—H2C 123 (2)
N2A—C2A—N1A 115.45 (19) C12C—C11C—C16C 118.3 (2)
N2A—C2A—S1A 124.23 (16) C12C—C11C—C1C 121.9 (3)
N1A—C2A—S1A 120.32 (16) C16C—C11C—C1C 119.7 (2)
C2A—N2A—C21A 123.26 (19) C11C—C12C—C13C 120.6 (3)
C2A—N2A—H2A 117 (3) C11C—C12C—Cl1C 119.5 (2)
C21A—N2A—H2A 120 (3) C13C—C12C—Cl1C 119.8 (3)
C16A—C11A—C12A 117.9 (2) C14C—C13C—C12C 118.9 (4)
C16A—C11A—C1A 121.2 (2) C14C—C13C—H13C 120.6
C12A—C11A—C1A 120.8 (2) C12C—C13C—H13C 120.6
C13A—C12A—C11A 122.0 (3) C15C—C14C—C13C 121.7 (3)
C13A—C12A—Cl1A 119.2 (3) C15C—C14C—H14C 119.1
C11A—C12A—Cl1A 118.8 (2) C13C—C14C—H14C 119.1
C12A—C13A—C14A 118.2 (3) C14C—C15C—C16C 119.0 (4)
C12A—C13A—H13A 120.9 C14C—C15C—H15C 120.5
C14A—C13A—H13A 120.9 C16C—C15C—H15C 120.5
C15A—C14A—C13A 121.7 (3) C15C—C16C—C11C 121.6 (3)
C15A—C14A—H14A 119.1 C15C—C16C—Cl2C 119.7 (3)
C13A—C14A—H14A 119.1 C11C—C16C—Cl2C 118.8 (2)
C14A—C15A—C16A 119.2 (3) C26C—C21C—C22C 119.56 (19)
C14A—C15A—H15A 120.4 C26C—C21C—N2C 120.9 (2)
C16A—C15A—H15A 120.4 C22C—C21C—N2C 119.38 (19)
C11A—C16A—C15A 121.1 (3) C23C—C22C—C21C 119.7 (2)
C11A—C16A—Cl2A 119.27 (19) C23C—C22C—Cl3C 121.21 (17)
C15A—C16A—Cl2A 119.6 (3) C21C—C22C—Cl3C 119.13 (16)
C26A—C21A—C22A 119.9 (2) C24C—C23C—C22C 120.7 (2)
C26A—C21A—N2A 120.2 (2) C24C—C23C—Cl4C 118.29 (17)
C22A—C21A—N2A 119.7 (2) C22C—C23C—Cl4C 120.97 (18)
C23A—C22A—C21A 119.6 (2) C25C—C24C—C23C 119.7 (2)
C23A—C22A—Cl3A 121.07 (18) C25C—C24C—H24C 120.1
C21A—C22A—Cl3A 119.28 (16) C23C—C24C—H24C 120.1
C24A—C23A—C22A 120.5 (2) C24C—C25C—C26C 120.3 (2)
C24A—C23A—Cl4A 118.36 (17) C24C—C25C—Cl5C 118.67 (17)
C22A—C23A—Cl4A 121.08 (18) C26C—C25C—Cl5C 120.99 (18)
C23A—C24A—C25A 119.9 (2) C21C—C26C—C25C 120.0 (2)
C23A—C24A—H24A 120.1 C21C—C26C—Cl6C 119.50 (16)
C25A—C24A—H24A 120.1 C25C—C26C—Cl6C 120.50 (17)
C24A—C25A—C26A 120.2 (2) Cl13—C1L—Cl11 111.14 (17)
C24A—C25A—Cl5A 118.63 (18) Cl13—C1L—Cl12 111.4 (2)
C26A—C25A—Cl5A 121.11 (19) Cl11—C1L—Cl12 110.41 (18)
C25A—C26A—C21A 119.8 (2) Cl13—C1L—H1L 107.9
C25A—C26A—Cl6A 121.06 (19) Cl11—C1L—H1L 107.9
C21A—C26A—Cl6A 119.15 (17) Cl12—C1L—H1L 107.9
O1B—C1B—N1B 124.7 (2) Cl22—C2L—Cl23 118.2 (3)
O1B—C1B—C11B 121.3 (2) Cl22—C2L—Cl21 116.2 (4)
N1B—C1B—C11B 114.02 (19) Cl23—C2L—Cl21 115.5 (3)
C1B—N1B—C2B 127.06 (19) Cl22—C2L—H2L 100.7
C1B—N1B—H1B 120 (2) Cl23—C2L—H2L 100.7
C2B—N1B—H1B 113 (2) Cl21—C2L—H2L 100.7
O1—C1—N1—C2 −2.3 (4) O1B—C1B—N1B—C2B 8.1 (4)
C11—C1—N1—C2 177.2 (2) C11B—C1B—N1B—C2B −170.0 (2)
C1—N1—C2—N2 −0.9 (4) C1B—N1B—C2B—N2B −1.8 (3)
C1—N1—C2—S1 179.49 (19) C1B—N1B—C2B—S1B 178.02 (19)
N1—C2—N2—C21 −178.7 (2) N1B—C2B—N2B—C21B 166.2 (2)
S1—C2—N2—C21 0.9 (3) S1B—C2B—N2B—C21B −13.6 (3)
O1—C1—C11—C12 −81.7 (3) O1B—C1B—C11B—C16B −96.7 (3)
N1—C1—C11—C12 98.7 (3) N1B—C1B—C11B—C16B 81.5 (3)
O1—C1—C11—C16 93.4 (3) O1B—C1B—C11B—C12B 78.7 (3)
N1—C1—C11—C16 −86.1 (3) N1B—C1B—C11B—C12B −103.1 (3)
C16—C11—C12—C13 1.0 (4) C16B—C11B—C12B—C13B −1.3 (4)
C1—C11—C12—C13 176.3 (2) C1B—C11B—C12B—C13B −176.8 (2)
C16—C11—C12—Cl1 −178.02 (19) C16B—C11B—C12B—Cl1B 177.23 (18)
C1—C11—C12—Cl1 −2.7 (3) C1B—C11B—C12B—Cl1B 1.7 (3)
C11—C12—C13—C14 −0.7 (4) C11B—C12B—C13B—C14B 0.3 (4)
Cl1—C12—C13—C14 178.3 (2) Cl1B—C12B—C13B—C14B −178.3 (2)
C12—C13—C14—C15 −0.1 (4) C12B—C13B—C14B—C15B 0.7 (4)
C13—C14—C15—C16 0.5 (4) C13B—C14B—C15B—C16B −0.6 (4)
C14—C15—C16—C11 −0.1 (4) C14B—C15B—C16B—C11B −0.4 (4)
C14—C15—C16—Cl2 −178.8 (2) C14B—C15B—C16B—Cl2B 177.4 (2)
C12—C11—C16—C15 −0.6 (4) C12B—C11B—C16B—C15B 1.4 (4)
C1—C11—C16—C15 −175.9 (2) C1B—C11B—C16B—C15B 176.9 (2)
C12—C11—C16—Cl2 178.10 (18) C12B—C11B—C16B—Cl2B −176.42 (18)
C1—C11—C16—Cl2 2.8 (3) C1B—C11B—C16B—Cl2B −0.9 (3)
C2—N2—C21—C22 88.3 (3) C2B—N2B—C21B—C26B 112.3 (3)
C2—N2—C21—C26 −96.7 (3) C2B—N2B—C21B—C22B −72.4 (3)
C26—C21—C22—C23 −1.2 (3) C26B—C21B—C22B—C23B −0.2 (3)
N2—C21—C22—C23 173.8 (2) N2B—C21B—C22B—C23B −175.5 (2)
C26—C21—C22—Cl3 178.82 (18) C26B—C21B—C22B—Cl3B 177.49 (17)
N2—C21—C22—Cl3 −6.2 (3) N2B—C21B—C22B—Cl3B 2.1 (3)
C21—C22—C23—C24 1.5 (4) C21B—C22B—C23B—C24B −0.7 (3)
Cl3—C22—C23—C24 −178.55 (19) Cl3B—C22B—C23B—C24B −178.28 (19)
C21—C22—C23—Cl4 −176.41 (18) C21B—C22B—C23B—Cl4B 177.96 (17)
Cl3—C22—C23—Cl4 3.5 (3) Cl3B—C22B—C23B—Cl4B 0.4 (3)
C22—C23—C24—C25 −0.3 (4) C22B—C23B—C24B—C25B 0.9 (4)
Cl4—C23—C24—C25 177.67 (19) Cl4B—C23B—C24B—C25B −177.72 (19)
C23—C24—C25—C26 −1.2 (4) C23B—C24B—C25B—C26B −0.4 (4)
C23—C24—C25—Cl5 −179.95 (19) C23B—C24B—C25B—Cl5B 178.89 (19)
C24—C25—C26—C21 1.4 (3) C22B—C21B—C26B—C25B 0.7 (3)
Cl5—C25—C26—C21 −179.82 (17) N2B—C21B—C26B—C25B 176.0 (2)
C24—C25—C26—Cl6 −178.41 (18) C22B—C21B—C26B—Cl6B −178.78 (17)
Cl5—C25—C26—Cl6 0.3 (3) N2B—C21B—C26B—Cl6B −3.4 (3)
C22—C21—C26—C25 −0.2 (3) C24B—C25B—C26B—C21B −0.5 (4)
N2—C21—C26—C25 −175.3 (2) Cl5B—C25B—C26B—C21B −179.70 (18)
C22—C21—C26—Cl6 179.63 (18) C24B—C25B—C26B—Cl6B 179.03 (19)
N2—C21—C26—Cl6 4.6 (3) Cl5B—C25B—C26B—Cl6B −0.2 (3)
O1A—C1A—N1A—C2A −1.6 (4) O1C—C1C—N1C—C2C 10.0 (4)
C11A—C1A—N1A—C2A 177.8 (2) C11C—C1C—N1C—C2C −169.2 (2)
C1A—N1A—C2A—N2A 1.2 (3) C1C—N1C—C2C—N2C −2.2 (3)
C1A—N1A—C2A—S1A −178.15 (19) C1C—N1C—C2C—S1C 177.26 (19)
N1A—C2A—N2A—C21A −179.5 (2) N1C—C2C—N2C—C21C 165.8 (2)
S1A—C2A—N2A—C21A −0.2 (3) S1C—C2C—N2C—C21C −13.7 (3)
O1A—C1A—C11A—C16A −87.3 (3) O1C—C1C—C11C—C12C 85.8 (3)
N1A—C1A—C11A—C16A 93.3 (3) N1C—C1C—C11C—C12C −95.0 (3)
O1A—C1A—C11A—C12A 87.6 (3) O1C—C1C—C11C—C16C −90.5 (3)
N1A—C1A—C11A—C12A −91.8 (3) N1C—C1C—C11C—C16C 88.6 (3)
C16A—C11A—C12A—C13A −0.6 (4) C16C—C11C—C12C—C13C −0.3 (4)
C1A—C11A—C12A—C13A −175.6 (2) C1C—C11C—C12C—C13C −176.7 (2)
C16A—C11A—C12A—Cl1A 177.91 (19) C16C—C11C—C12C—Cl1C 178.1 (2)
C1A—C11A—C12A—Cl1A 2.8 (3) C1C—C11C—C12C—Cl1C 1.7 (3)
C11A—C12A—C13A—C14A 0.6 (4) C11C—C12C—C13C—C14C 0.3 (4)
Cl1A—C12A—C13A—C14A −177.9 (2) Cl1C—C12C—C13C—C14C −178.1 (2)
C12A—C13A—C14A—C15A −0.5 (5) C12C—C13C—C14C—C15C 0.0 (5)
C13A—C14A—C15A—C16A 0.4 (5) C13C—C14C—C15C—C16C −0.3 (5)
C12A—C11A—C16A—C15A 0.4 (4) C14C—C15C—C16C—C11C 0.2 (5)
C1A—C11A—C16A—C15A 175.5 (2) C14C—C15C—C16C—Cl2C −179.8 (2)
C12A—C11A—C16A—Cl2A −178.72 (19) C12C—C11C—C16C—C15C 0.1 (4)
C1A—C11A—C16A—Cl2A −3.7 (3) C1C—C11C—C16C—C15C 176.5 (2)
C14A—C15A—C16A—C11A −0.4 (4) C12C—C11C—C16C—Cl2C −179.93 (19)
C14A—C15A—C16A—Cl2A 178.8 (2) C1C—C11C—C16C—Cl2C −3.5 (3)
C2A—N2A—C21A—C26A 91.8 (3) C2C—N2C—C21C—C26C 104.0 (3)
C2A—N2A—C21A—C22A −92.9 (3) C2C—N2C—C21C—C22C −80.7 (3)
C26A—C21A—C22A—C23A −0.7 (3) C26C—C21C—C22C—C23C −0.6 (3)
N2A—C21A—C22A—C23A −175.9 (2) N2C—C21C—C22C—C23C −176.0 (2)
C26A—C21A—C22A—Cl3A 179.80 (17) C26C—C21C—C22C—Cl3C 179.09 (17)
N2A—C21A—C22A—Cl3A 4.5 (3) N2C—C21C—C22C—Cl3C 3.7 (3)
C21A—C22A—C23A—C24A 1.2 (3) C21C—C22C—C23C—C24C 0.9 (3)
Cl3A—C22A—C23A—C24A −179.30 (18) Cl3C—C22C—C23C—C24C −178.75 (18)
C21A—C22A—C23A—Cl4A −179.68 (17) C21C—C22C—C23C—Cl4C 179.53 (17)
Cl3A—C22A—C23A—Cl4A −0.2 (3) Cl3C—C22C—C23C—Cl4C −0.2 (3)
C22A—C23A—C24A—C25A −0.7 (4) C22C—C23C—C24C—C25C −0.5 (4)
Cl4A—C23A—C24A—C25A −179.82 (19) Cl4C—C23C—C24C—C25C −179.13 (18)
C23A—C24A—C25A—C26A −0.4 (4) C23C—C24C—C25C—C26C −0.3 (4)
C23A—C24A—C25A—Cl5A 178.24 (19) C23C—C24C—C25C—Cl5C 178.69 (18)
C24A—C25A—C26A—C21A 0.9 (4) C22C—C21C—C26C—C25C −0.2 (3)
Cl5A—C25A—C26A—C21A −177.70 (18) N2C—C21C—C26C—C25C 175.1 (2)
C24A—C25A—C26A—Cl6A −178.40 (19) C22C—C21C—C26C—Cl6C −179.91 (17)
Cl5A—C25A—C26A—Cl6A 3.0 (3) N2C—C21C—C26C—Cl6C −4.6 (3)
C22A—C21A—C26A—C25A −0.4 (3) C24C—C25C—C26C—C21C 0.6 (4)
N2A—C21A—C26A—C25A 174.9 (2) Cl5C—C25C—C26C—C21C −178.33 (18)
C22A—C21A—C26A—Cl6A 178.94 (17) C24C—C25C—C26C—Cl6C −179.64 (19)
N2A—C21A—C26A—Cl6A −5.8 (3) Cl5C—C25C—C26C—Cl6C 1.4 (3)