Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806029904/kp2047sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806029904/kp2047Isup2.hkl |
CCDC reference: 621399
Data collection: Proteum2 (Bruker, 2005); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997) and RASTER3D (Merritt & Merritt, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).
[Cr(C14H10N2O)(CO)3] | F(000) = 1456 |
Mr = 358.27 | Dx = 1.635 Mg m−3 |
Orthorhombic, Pbca | Cu Kα radiation, λ = 1.54178 Å |
Hall symbol: -P 2ac 2ab | Cell parameters from 7332 reflections |
a = 13.6266 (4) Å | θ = 4.3–68.8° |
b = 10.3234 (3) Å | µ = 6.71 mm−1 |
c = 20.6939 (6) Å | T = 100 K |
V = 2911.07 (15) Å3 | Block, yellow |
Z = 8 | 0.12 × 0.06 × 0.03 mm |
BrukerProteum diffractometer | 2700 independent reflections |
Radiation source: fine-focus rotating anode | 2456 reflections with I > 2σ(I) |
Osmic mirrors monochromator | Rint = 0.057 |
area–detector scans | θmax = 69.1°, θmin = 4.3° |
Absorption correction: multi-scan (SADABS; Bruker, 2000) | h = −12→12 |
Tmin = 0.500, Tmax = 0.824 | k = −16→16 |
55017 measured reflections | l = −25→25 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | H atoms treated by a mixture of independent and constrained refinement |
R[F2 > 2σ(F2)] = 0.041 | w = 1/[σ2(Fo2) + (0.0675P)2 + 4.6385P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.120 | (Δ/σ)max < 0.001 |
S = 1.09 | Δρmax = 0.83 e Å−3 |
2700 reflections | Δρmin = −0.78 e Å−3 |
221 parameters |
Experimental. 1H NMR (270 MHz) CDCl3: δ 17.3 (br s, 1H, NH), 7.91 (m, 2H, py), 7.60 (d, 1H, py, J = 9 Hz), 7.11 (t, 1H, py, J = 6 Hz), 6.23 (d, 2H, ArCr, J = 6 Hz), 5.50 (t, 1H, ArCr, J = 6 Hz), 5.31 (t, 2 H, ArCr, J = 6 Hz) p.p.m. |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
x | y | z | Uiso*/Ueq | ||
Cr1 | 0.59011 (3) | 0.06496 (4) | −0.30904 (2) | 0.01675 (17) | |
C5 | 0.7234 (2) | −0.0573 (3) | −0.31046 (13) | 0.0207 (6) | |
H5 | 0.7743 | −0.0642 | −0.2792 | 0.025* | |
O3 | 0.43784 (17) | 0.0306 (2) | −0.20789 (12) | 0.0360 (5) | |
C4 | 0.6421 (2) | −0.1395 (3) | −0.30674 (13) | 0.0212 (6) | |
H4 | 0.6372 | −0.2011 | −0.2728 | 0.025* | |
O2 | 0.67466 (18) | 0.2441 (2) | −0.21079 (10) | 0.0304 (5) | |
C1 | 0.65634 (19) | 0.0461 (3) | −0.40701 (13) | 0.0168 (5) | |
C2 | 0.5744 (2) | −0.0394 (3) | −0.40325 (13) | 0.0180 (5) | |
H2 | 0.524 | −0.0344 | −0.4348 | 0.022* | |
C3 | 0.5676 (2) | −0.1305 (3) | −0.35359 (13) | 0.0204 (6) | |
H3 | 0.5125 | −0.1866 | −0.3514 | 0.024* | |
C6 | 0.73069 (19) | 0.0360 (3) | −0.36029 (13) | 0.0180 (5) | |
H6 | 0.786 | 0.092 | −0.3621 | 0.022* | |
C15 | 0.6451 (2) | 0.1762 (3) | −0.24877 (14) | 0.0236 (6) | |
C16 | 0.4944 (2) | 0.0388 (3) | −0.24641 (15) | 0.0241 (6) | |
O1 | 0.56705 (13) | 0.17590 (19) | −0.47967 (9) | 0.0202 (4) | |
C7 | 0.65137 (19) | 0.1491 (3) | −0.45908 (12) | 0.0170 (5) | |
O4 | 0.46785 (17) | 0.2899 (2) | −0.35107 (11) | 0.0341 (5) | |
C10 | 0.73187 (19) | 0.3140 (2) | −0.52972 (12) | 0.0155 (5) | |
C9 | 0.83365 (19) | 0.1657 (2) | −0.46814 (12) | 0.0162 (5) | |
C8 | 0.73743 (19) | 0.2099 (2) | −0.48316 (12) | 0.0159 (5) | |
C17 | 0.5141 (2) | 0.2065 (3) | −0.33611 (13) | 0.0230 (6) | |
N2 | 0.64246 (16) | 0.3602 (2) | −0.54754 (10) | 0.0157 (5) | |
N1 | 0.91284 (16) | 0.1324 (2) | −0.45788 (12) | 0.0205 (5) | |
C12 | 0.8024 (2) | 0.4730 (3) | −0.60120 (13) | 0.0193 (5) | |
H12 | 0.8583 | 0.5115 | −0.6208 | 0.023* | |
C14 | 0.6295 (2) | 0.4600 (3) | −0.58872 (13) | 0.0173 (5) | |
H14 | 0.5651 | 0.4895 | −0.5984 | 0.021* | |
C13 | 0.7086 (2) | 0.5187 (3) | −0.61658 (13) | 0.0186 (5) | |
H13 | 0.7003 | 0.5889 | −0.6457 | 0.022* | |
C11 | 0.81490 (19) | 0.3729 (3) | −0.55798 (12) | 0.0178 (5) | |
H11 | 0.879 | 0.3437 | −0.5472 | 0.021* | |
H15 | 0.597 (2) | 0.324 (3) | −0.5328 (16) | 0.014 (8)* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cr1 | 0.0159 (3) | 0.0171 (3) | 0.0173 (3) | 0.00033 (17) | −0.00043 (16) | 0.00074 (17) |
C5 | 0.0165 (14) | 0.0245 (14) | 0.0210 (14) | 0.0067 (11) | −0.0005 (10) | 0.0042 (11) |
O3 | 0.0273 (12) | 0.0434 (14) | 0.0372 (13) | 0.0033 (11) | 0.0086 (11) | −0.0100 (11) |
C4 | 0.0230 (14) | 0.0179 (13) | 0.0228 (14) | 0.0059 (11) | 0.0025 (11) | 0.0048 (10) |
O2 | 0.0495 (13) | 0.0226 (10) | 0.0191 (10) | −0.0067 (10) | 0.0021 (10) | 0.0000 (9) |
C1 | 0.0156 (12) | 0.0185 (13) | 0.0163 (13) | 0.0032 (10) | 0.0028 (10) | −0.0003 (10) |
C2 | 0.0169 (12) | 0.0192 (13) | 0.0179 (13) | 0.0007 (11) | −0.0012 (10) | −0.0028 (11) |
C3 | 0.0211 (13) | 0.0168 (13) | 0.0232 (14) | −0.0008 (11) | 0.0034 (11) | −0.0024 (11) |
C6 | 0.0131 (13) | 0.0221 (13) | 0.0188 (13) | 0.0023 (10) | −0.0002 (10) | 0.0013 (11) |
C15 | 0.0201 (14) | 0.0245 (14) | 0.0263 (15) | −0.0049 (11) | −0.0015 (11) | 0.0126 (13) |
C16 | 0.0237 (14) | 0.0207 (13) | 0.0280 (15) | −0.0072 (12) | −0.0065 (12) | 0.0038 (12) |
O1 | 0.0131 (9) | 0.0256 (10) | 0.0219 (9) | −0.0008 (8) | −0.0027 (7) | 0.0060 (8) |
C7 | 0.0171 (13) | 0.0185 (13) | 0.0153 (12) | 0.0005 (10) | −0.0007 (10) | −0.0011 (10) |
O4 | 0.0390 (13) | 0.0274 (11) | 0.0360 (12) | 0.0110 (10) | −0.0049 (10) | −0.0057 (10) |
C10 | 0.0158 (12) | 0.0168 (12) | 0.0139 (12) | 0.0022 (10) | −0.0012 (9) | −0.0026 (10) |
C9 | 0.0195 (14) | 0.0156 (12) | 0.0137 (12) | −0.0015 (10) | 0.0010 (10) | 0.0004 (10) |
C8 | 0.0161 (12) | 0.0169 (12) | 0.0147 (12) | 0.0015 (10) | −0.0016 (10) | −0.0006 (10) |
C17 | 0.0219 (14) | 0.0326 (16) | 0.0146 (13) | −0.0052 (13) | −0.0062 (11) | 0.0044 (12) |
N2 | 0.0124 (11) | 0.0189 (11) | 0.0157 (11) | −0.0011 (9) | 0.0009 (8) | 0.0004 (9) |
N1 | 0.0160 (12) | 0.0237 (12) | 0.0219 (12) | 0.0015 (9) | 0.0001 (9) | 0.0033 (10) |
C12 | 0.0175 (13) | 0.0209 (13) | 0.0195 (13) | −0.0030 (11) | 0.0031 (10) | −0.0003 (11) |
C14 | 0.0186 (13) | 0.0175 (12) | 0.0160 (13) | 0.0023 (11) | −0.0023 (10) | −0.0002 (10) |
C13 | 0.0208 (13) | 0.0182 (12) | 0.0169 (12) | 0.0013 (11) | −0.0006 (10) | 0.0019 (10) |
C11 | 0.0156 (12) | 0.0208 (13) | 0.0170 (12) | 0.0016 (10) | 0.0005 (10) | −0.0013 (10) |
Cr1—C15 | 1.854 (3) | C2—H2 | 0.95 |
Cr1—C16 | 1.859 (3) | C3—H3 | 0.95 |
Cr1—C17 | 1.876 (3) | C6—H6 | 0.95 |
Cr1—C6 | 2.210 (3) | O1—C7 | 1.256 (3) |
Cr1—C5 | 2.212 (3) | C7—C8 | 1.420 (4) |
Cr1—C4 | 2.227 (3) | O4—C17 | 1.111 (4) |
Cr1—C1 | 2.228 (3) | C10—N2 | 1.360 (3) |
Cr1—C2 | 2.238 (3) | C10—C11 | 1.411 (4) |
Cr1—C3 | 2.240 (3) | C10—C8 | 1.445 (4) |
C5—C4 | 1.397 (4) | C9—N1 | 1.152 (3) |
C5—C6 | 1.415 (4) | C9—C8 | 1.423 (4) |
C5—H5 | 0.95 | N2—C14 | 1.349 (3) |
O3—C16 | 1.112 (4) | N2—H15 | 0.79 (3) |
C4—C3 | 1.407 (4) | C12—C11 | 1.377 (4) |
C4—H4 | 0.95 | C12—C13 | 1.399 (4) |
O2—C15 | 1.127 (4) | C12—H12 | 0.95 |
C1—C6 | 1.404 (4) | C14—C13 | 1.365 (4) |
C1—C2 | 1.425 (4) | C14—H14 | 0.95 |
C1—C7 | 1.515 (4) | C13—H13 | 0.95 |
C2—C3 | 1.396 (4) | C11—H11 | 0.95 |
C15—Cr1—C16 | 84.52 (12) | C2—C1—C7 | 116.0 (2) |
C15—Cr1—C17 | 86.66 (12) | C6—C1—Cr1 | 70.86 (15) |
C16—Cr1—C17 | 86.18 (13) | C2—C1—Cr1 | 71.77 (15) |
C15—Cr1—C6 | 93.23 (11) | C7—C1—Cr1 | 124.59 (17) |
C16—Cr1—C6 | 157.44 (12) | C3—C2—C1 | 120.6 (2) |
C17—Cr1—C6 | 116.15 (11) | C3—C2—Cr1 | 71.91 (16) |
C15—Cr1—C5 | 91.75 (12) | C1—C2—Cr1 | 71.00 (15) |
C16—Cr1—C5 | 120.19 (12) | C3—C2—H2 | 119.7 |
C17—Cr1—C5 | 153.33 (11) | C1—C2—H2 | 119.7 |
C6—Cr1—C5 | 37.31 (10) | Cr1—C2—H2 | 130 |
C15—Cr1—C4 | 116.37 (12) | C2—C3—C4 | 120.2 (3) |
C16—Cr1—C4 | 94.08 (12) | C2—C3—Cr1 | 71.76 (15) |
C17—Cr1—C4 | 156.91 (11) | C4—C3—Cr1 | 71.15 (16) |
C6—Cr1—C4 | 66.80 (10) | C2—C3—H3 | 119.9 |
C5—Cr1—C4 | 36.69 (11) | C4—C3—H3 | 119.9 |
C15—Cr1—C1 | 120.18 (11) | Cr1—C3—H3 | 129.7 |
C16—Cr1—C1 | 155.00 (11) | C1—C6—C5 | 120.1 (3) |
C17—Cr1—C1 | 91.15 (11) | C1—C6—Cr1 | 72.24 (15) |
C6—Cr1—C1 | 36.90 (9) | C5—C6—Cr1 | 71.44 (15) |
C5—Cr1—C1 | 66.76 (10) | C1—C6—H6 | 119.9 |
C4—Cr1—C1 | 78.91 (10) | C5—C6—H6 | 119.9 |
C15—Cr1—C2 | 157.39 (11) | Cr1—C6—H6 | 128.6 |
C16—Cr1—C2 | 118.07 (11) | O2—C15—Cr1 | 177.0 (3) |
C17—Cr1—C2 | 93.56 (11) | O3—C16—Cr1 | 175.9 (3) |
C6—Cr1—C2 | 66.39 (10) | O1—C7—C8 | 122.6 (2) |
C5—Cr1—C2 | 78.00 (10) | O1—C7—C1 | 115.9 (2) |
C4—Cr1—C2 | 65.95 (10) | C8—C7—C1 | 121.5 (2) |
C1—Cr1—C2 | 37.23 (10) | N2—C10—C11 | 117.0 (2) |
C15—Cr1—C3 | 152.95 (12) | N2—C10—C8 | 119.3 (2) |
C16—Cr1—C3 | 93.45 (12) | C11—C10—C8 | 123.7 (2) |
C17—Cr1—C3 | 120.19 (11) | N1—C9—C8 | 177.5 (3) |
C6—Cr1—C3 | 78.42 (10) | C7—C8—C9 | 122.9 (2) |
C5—Cr1—C3 | 65.97 (10) | C7—C8—C10 | 121.3 (2) |
C4—Cr1—C3 | 36.72 (10) | C9—C8—C10 | 115.6 (2) |
C1—Cr1—C3 | 66.55 (10) | O4—C17—Cr1 | 178.6 (3) |
C2—Cr1—C3 | 36.33 (10) | C14—N2—C10 | 123.9 (2) |
C4—C5—C6 | 120.6 (3) | C14—N2—H15 | 120 (2) |
C4—C5—Cr1 | 72.23 (16) | C10—N2—H15 | 116 (2) |
C6—C5—Cr1 | 71.25 (15) | C11—C12—C13 | 120.9 (2) |
C4—C5—H5 | 119.7 | C11—C12—H12 | 119.6 |
C6—C5—H5 | 119.7 | C13—C12—H12 | 119.6 |
Cr1—C5—H5 | 129.2 | N2—C14—C13 | 120.1 (2) |
C5—C4—C3 | 119.6 (2) | N2—C14—H14 | 119.9 |
C5—C4—Cr1 | 71.08 (16) | C13—C14—H14 | 119.9 |
C3—C4—Cr1 | 72.13 (16) | C14—C13—C12 | 118.4 (2) |
C5—C4—H4 | 120.2 | C14—C13—H13 | 120.8 |
C3—C4—H4 | 120.2 | C12—C13—H13 | 120.8 |
Cr1—C4—H4 | 128.9 | C12—C11—C10 | 119.6 (2) |
C6—C1—C2 | 118.8 (2) | C12—C11—H11 | 120.2 |
C6—C1—C7 | 125.0 (2) | C10—C11—H11 | 120.2 |
C15—Cr1—C5—C4 | 134.65 (17) | C6—Cr1—C2—C1 | −29.83 (15) |
C16—Cr1—C5—C4 | 50.0 (2) | C5—Cr1—C2—C1 | −67.23 (16) |
C17—Cr1—C5—C4 | −139.3 (2) | C4—Cr1—C2—C1 | −103.83 (17) |
C6—Cr1—C5—C4 | −132.3 (2) | C3—Cr1—C2—C1 | −132.8 (2) |
C1—Cr1—C5—C4 | −103.06 (18) | C1—C2—C3—C4 | −0.4 (4) |
C2—Cr1—C5—C4 | −65.68 (16) | Cr1—C2—C3—C4 | −54.1 (2) |
C3—Cr1—C5—C4 | −29.47 (16) | C1—C2—C3—Cr1 | 53.7 (2) |
C15—Cr1—C5—C6 | −93.03 (17) | C5—C4—C3—C2 | −0.5 (4) |
C16—Cr1—C5—C6 | −177.70 (17) | Cr1—C4—C3—C2 | 54.4 (2) |
C17—Cr1—C5—C6 | −7.0 (3) | C5—C4—C3—Cr1 | −54.9 (2) |
C4—Cr1—C5—C6 | 132.3 (2) | C15—Cr1—C3—C2 | −139.8 (2) |
C1—Cr1—C5—C6 | 29.27 (16) | C16—Cr1—C3—C2 | 135.54 (17) |
C2—Cr1—C5—C6 | 66.65 (17) | C17—Cr1—C3—C2 | 47.9 (2) |
C3—Cr1—C5—C6 | 102.85 (18) | C6—Cr1—C3—C2 | −65.71 (16) |
C6—C5—C4—C3 | 1.0 (4) | C5—Cr1—C3—C2 | −102.81 (18) |
Cr1—C5—C4—C3 | 55.4 (2) | C4—Cr1—C3—C2 | −132.3 (2) |
C6—C5—C4—Cr1 | −54.4 (2) | C1—Cr1—C3—C2 | −28.93 (15) |
C15—Cr1—C4—C5 | −52.53 (19) | C15—Cr1—C3—C4 | −7.5 (3) |
C16—Cr1—C4—C5 | −138.43 (18) | C16—Cr1—C3—C4 | −92.20 (18) |
C17—Cr1—C4—C5 | 131.7 (3) | C17—Cr1—C3—C4 | −179.79 (17) |
C6—Cr1—C4—C5 | 29.18 (16) | C6—Cr1—C3—C4 | 66.56 (16) |
C1—Cr1—C4—C5 | 65.80 (16) | C5—Cr1—C3—C4 | 29.45 (16) |
C2—Cr1—C4—C5 | 102.57 (17) | C1—Cr1—C3—C4 | 103.33 (18) |
C3—Cr1—C4—C5 | 131.3 (2) | C2—Cr1—C3—C4 | 132.3 (2) |
C15—Cr1—C4—C3 | 176.20 (17) | C2—C1—C6—C5 | −0.3 (4) |
C16—Cr1—C4—C3 | 90.30 (18) | C7—C1—C6—C5 | 174.5 (2) |
C17—Cr1—C4—C3 | 0.5 (4) | Cr1—C1—C6—C5 | 55.1 (2) |
C6—Cr1—C4—C3 | −102.08 (18) | C2—C1—C6—Cr1 | −55.4 (2) |
C5—Cr1—C4—C3 | −131.3 (2) | C7—C1—C6—Cr1 | 119.4 (2) |
C1—Cr1—C4—C3 | −65.47 (17) | C4—C5—C6—C1 | −0.6 (4) |
C2—Cr1—C4—C3 | −28.69 (16) | Cr1—C5—C6—C1 | −55.5 (2) |
C15—Cr1—C1—C6 | 48.2 (2) | C4—C5—C6—Cr1 | 54.9 (2) |
C16—Cr1—C1—C6 | −141.5 (3) | C15—Cr1—C6—C1 | −139.78 (17) |
C17—Cr1—C1—C6 | 135.03 (17) | C16—Cr1—C6—C1 | 136.7 (3) |
C5—Cr1—C1—C6 | −29.58 (16) | C17—Cr1—C6—C1 | −51.92 (19) |
C4—Cr1—C1—C6 | −65.96 (17) | C5—Cr1—C6—C1 | 131.6 (2) |
C2—Cr1—C1—C6 | −130.6 (2) | C4—Cr1—C6—C1 | 102.84 (18) |
C3—Cr1—C1—C6 | −102.32 (18) | C2—Cr1—C6—C1 | 30.09 (15) |
C15—Cr1—C1—C2 | 178.82 (16) | C3—Cr1—C6—C1 | 66.20 (16) |
C16—Cr1—C1—C2 | −10.9 (3) | C15—Cr1—C6—C5 | 88.65 (18) |
C17—Cr1—C1—C2 | −94.38 (17) | C16—Cr1—C6—C5 | 5.2 (4) |
C6—Cr1—C1—C2 | 130.6 (2) | C17—Cr1—C6—C5 | 176.51 (17) |
C5—Cr1—C1—C2 | 101.02 (17) | C4—Cr1—C6—C5 | −28.72 (16) |
C4—Cr1—C1—C2 | 64.64 (16) | C1—Cr1—C6—C5 | −131.6 (2) |
C3—Cr1—C1—C2 | 28.28 (15) | C2—Cr1—C6—C5 | −101.48 (18) |
C15—Cr1—C1—C7 | −71.7 (2) | C3—Cr1—C6—C5 | −65.37 (17) |
C16—Cr1—C1—C7 | 98.5 (3) | C6—C1—C7—O1 | −153.5 (3) |
C17—Cr1—C1—C7 | 15.1 (2) | C2—C1—C7—O1 | 21.4 (3) |
C6—Cr1—C1—C7 | −119.9 (3) | Cr1—C1—C7—O1 | −63.6 (3) |
C5—Cr1—C1—C7 | −149.5 (2) | C6—C1—C7—C8 | 27.2 (4) |
C4—Cr1—C1—C7 | 174.1 (2) | C2—C1—C7—C8 | −158.0 (2) |
C2—Cr1—C1—C7 | 109.5 (3) | Cr1—C1—C7—C8 | 117.0 (2) |
C3—Cr1—C1—C7 | 137.8 (2) | O1—C7—C8—C9 | −169.3 (2) |
C6—C1—C2—C3 | 0.8 (4) | C1—C7—C8—C9 | 10.1 (4) |
C7—C1—C2—C3 | −174.4 (2) | O1—C7—C8—C10 | 4.8 (4) |
Cr1—C1—C2—C3 | −54.1 (2) | C1—C7—C8—C10 | −175.9 (2) |
C6—C1—C2—Cr1 | 54.9 (2) | N2—C10—C8—C7 | 4.4 (4) |
C7—C1—C2—Cr1 | −120.3 (2) | C11—C10—C8—C7 | −176.3 (2) |
C15—Cr1—C2—C3 | 130.2 (3) | N2—C10—C8—C9 | 178.9 (2) |
C16—Cr1—C2—C3 | −52.4 (2) | C11—C10—C8—C9 | −1.9 (4) |
C17—Cr1—C2—C3 | −139.98 (17) | C11—C10—N2—C14 | −1.9 (4) |
C6—Cr1—C2—C3 | 102.98 (18) | C8—C10—N2—C14 | 177.5 (2) |
C5—Cr1—C2—C3 | 65.58 (17) | C10—N2—C14—C13 | 1.8 (4) |
C4—Cr1—C2—C3 | 28.98 (16) | N2—C14—C13—C12 | −0.1 (4) |
C1—Cr1—C2—C3 | 132.8 (2) | C11—C12—C13—C14 | −1.3 (4) |
C15—Cr1—C2—C1 | −2.7 (4) | C13—C12—C11—C10 | 1.2 (4) |
C16—Cr1—C2—C1 | 174.78 (16) | N2—C10—C11—C12 | 0.3 (4) |
C17—Cr1—C2—C1 | 87.21 (17) | C8—C10—C11—C12 | −179.0 (2) |