Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804004921/hb6020sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804004921/hb6020Isup2.hkl |
CCDC reference: 238634
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.003 Å
- R factor = 0.069
- wR factor = 0.157
- Data-to-parameter ratio = 16.1
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for N6 - C25 .. 47.60 su PLAT230_ALERT_2_B Hirshfeld Test Diff for N6 - C26 .. 41.48 su PLAT230_ALERT_2_B Hirshfeld Test Diff for C23 - C24 .. 7.01 su PLAT241_ALERT_2_B Check High U(eq) as Compared to Neighbors .... N6 PLAT241_ALERT_2_B Check High U(eq) as Compared to Neighbors .... N9 PLAT242_ALERT_2_B Check Low U(eq) as Compared to Neighbors .... C26 PLAT242_ALERT_2_B Check Low U(eq) as Compared to Neighbors .... C28
Alert level C PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.85 PLAT220_ALERT_2_C Large Non-Solvent N Ueq(max)/Ueq(min) ... 2.74 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for N3 - C13 .. 6.84 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C16 - C17 .. 5.29 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C17 - C18 .. 5.00 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C19 - C20 .. 5.29 su PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C25 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C27
Alert level G ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.848 Tmax scaled 0.848 Tmin scaled 0.809
0 ALERT level A = In general: serious problem 7 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 14 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: CrystalClear (Rigaku Corporation, 2002); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXTL (Siemens, 1994); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
[Ni(C2N3)2(C13H8N2)2] | F(000) = 1128 |
Mr = 551.22 | Dx = 1.482 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 4234 reflections |
a = 9.580 (3) Å | θ = 3.1–27.5° |
b = 15.176 (5) Å | µ = 0.83 mm−1 |
c = 17.589 (6) Å | T = 293 K |
β = 105.021 (4)° | Prism, green |
V = 2469.9 (13) Å3 | 0.32 × 0.23 × 0.20 mm |
Z = 4 |
Rigaku Mercury CCD diffractometer | 5668 independent reflections |
Radiation source: fine-focus sealed tube | 3542 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.056 |
ω scans | θmax = 27.5°, θmin = 3.1° |
Absorption correction: multi-scan Sphere (CrystalClear; Rigaku Corporation, 2002) | h = −12→12 |
Tmin = 0.955, Tmax = 1.000 | k = −19→18 |
20640 measured reflections | l = −22→21 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.069 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.158 | H-atom parameters constrained |
S = 1.09 | w = 1/[σ2(Fo2) + (0.056P)2 + 0.5P] where P = (Fo2 + 2Fc2)/3 |
5668 reflections | (Δ/σ)max = 0.004 |
352 parameters | Δρmax = 0.89 e Å−3 |
6 restraints | Δρmin = −0.63 e Å−3 |
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. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Ni1 | 0.77384 (2) | 0.733262 (16) | 0.519212 (14) | 0.03916 (7) | |
N1 | 0.61658 (14) | 0.64276 (10) | 0.46436 (8) | 0.0393 (4) | |
N2 | 0.63813 (15) | 0.73377 (10) | 0.59621 (9) | 0.0412 (4) | |
C1 | 0.6086 (2) | 0.59610 (13) | 0.39958 (11) | 0.0484 (6) | |
H1A | 0.6881 | 0.5954 | 0.3785 | 0.058* | |
C2 | 0.4863 (2) | 0.54798 (14) | 0.36159 (13) | 0.0604 (7) | |
H2A | 0.4849 | 0.5165 | 0.3160 | 0.072* | |
C3 | 0.3693 (2) | 0.54748 (15) | 0.39164 (13) | 0.0653 (8) | |
H3A | 0.2871 | 0.5157 | 0.3668 | 0.078* | |
C4 | 0.3732 (2) | 0.59509 (14) | 0.46033 (13) | 0.0533 (7) | |
C5 | 0.2557 (2) | 0.59864 (17) | 0.49760 (14) | 0.0720 (8) | |
H5A | 0.1694 | 0.5699 | 0.4745 | 0.086* | |
C6 | 0.2690 (2) | 0.64225 (16) | 0.56418 (14) | 0.0707 (8) | |
H6A | 0.1912 | 0.6435 | 0.5866 | 0.085* | |
C7 | 0.39823 (19) | 0.68741 (14) | 0.60277 (12) | 0.0544 (6) | |
C8 | 0.4230 (2) | 0.73105 (15) | 0.67699 (14) | 0.0696 (7) | |
H8A | 0.3523 | 0.7307 | 0.7045 | 0.084* | |
C9 | 0.5504 (2) | 0.77313 (16) | 0.70715 (13) | 0.0692 (8) | |
H9A | 0.5675 | 0.8015 | 0.7556 | 0.083* | |
C10 | 0.6563 (2) | 0.77351 (14) | 0.66459 (11) | 0.0563 (7) | |
H10A | 0.7427 | 0.8031 | 0.6857 | 0.068* | |
C11 | 0.51390 (18) | 0.68961 (13) | 0.56694 (11) | 0.0437 (5) | |
C12 | 0.49988 (18) | 0.64137 (13) | 0.49497 (11) | 0.0416 (5) | |
N3 | 0.65123 (15) | 0.83910 (10) | 0.45747 (8) | 0.0415 (5) | |
N4 | 0.89448 (15) | 0.84074 (11) | 0.57313 (8) | 0.0444 (5) | |
C13 | 0.5312 (2) | 0.83752 (14) | 0.39978 (12) | 0.0519 (6) | |
H13A | 0.4904 | 0.7830 | 0.3828 | 0.062* | |
C14 | 0.4625 (2) | 0.91273 (14) | 0.36304 (13) | 0.0602 (7) | |
H14A | 0.3782 | 0.9080 | 0.3226 | 0.072* | |
C15 | 0.5189 (2) | 0.99254 (15) | 0.38648 (13) | 0.0658 (8) | |
H15A | 0.4737 | 1.0432 | 0.3623 | 0.079* | |
C16 | 0.6470 (2) | 0.99897 (13) | 0.44794 (12) | 0.0528 (6) | |
C17 | 0.7150 (2) | 1.07965 (15) | 0.47876 (14) | 0.0712 (8) | |
H17A | 0.6740 | 1.1327 | 0.4576 | 0.085* | |
C18 | 0.8359 (3) | 1.08095 (15) | 0.53731 (14) | 0.0741 (8) | |
H18A | 0.8777 | 1.1348 | 0.5557 | 0.089* | |
C19 | 0.9023 (2) | 1.00138 (14) | 0.57220 (12) | 0.0550 (6) | |
C20 | 1.0288 (3) | 0.99733 (16) | 0.63371 (13) | 0.0738 (8) | |
H20A | 1.0753 | 1.0491 | 0.6544 | 0.089* | |
C21 | 1.0842 (2) | 0.91842 (17) | 0.66329 (13) | 0.0701 (8) | |
H21A | 1.1679 | 0.9158 | 0.7043 | 0.084* | |
C22 | 1.0139 (2) | 0.84156 (15) | 0.63135 (12) | 0.0567 (7) | |
H22A | 1.0529 | 0.7879 | 0.6520 | 0.068* | |
C23 | 0.83823 (19) | 0.92100 (13) | 0.54389 (11) | 0.0448 (5) | |
C24 | 0.70778 (18) | 0.91922 (13) | 0.48160 (11) | 0.0440 (6) | |
N5 | 0.90131 (15) | 0.64119 (11) | 0.58980 (10) | 0.0526 (5) | |
N6 | 0.9908 (3) | 0.52241 (17) | 0.67871 (14) | 0.1077 (4) | |
N7 | 1.22950 (19) | 0.46457 (14) | 0.73626 (12) | 0.0770 (7) | |
C25 | 0.9516 (2) | 0.58819 (14) | 0.63073 (14) | 0.0590 (7) | |
C26 | 1.1230 (2) | 0.49371 (15) | 0.70726 (13) | 0.0579 (7) | |
N8 | 0.88112 (16) | 0.72493 (11) | 0.43260 (10) | 0.0521 (5) | |
N9 | 0.9711 (2) | 0.74532 (17) | 0.31737 (12) | 0.0969 (9) | |
N10 | 1.2172 (2) | 0.74706 (16) | 0.30464 (13) | 0.0961 (8) | |
C27 | 0.9309 (2) | 0.73243 (14) | 0.38090 (12) | 0.0526 (6) | |
C28 | 1.1053 (2) | 0.74467 (15) | 0.31489 (12) | 0.0617 (7) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ni1 | 0.03329 (10) | 0.04301 (13) | 0.04335 (12) | −0.00317 (11) | 0.01385 (9) | 0.00251 (11) |
N1 | 0.0330 (7) | 0.0393 (9) | 0.0463 (8) | −0.0011 (7) | 0.0115 (6) | 0.0019 (7) |
N2 | 0.0459 (7) | 0.0414 (9) | 0.0392 (8) | 0.0017 (7) | 0.0162 (6) | 0.0043 (7) |
C1 | 0.0520 (10) | 0.0521 (12) | 0.0442 (10) | 0.0026 (9) | 0.0182 (8) | 0.0011 (9) |
C2 | 0.0690 (13) | 0.0573 (14) | 0.0522 (12) | −0.0124 (11) | 0.0110 (11) | −0.0099 (11) |
C3 | 0.0591 (12) | 0.0637 (15) | 0.0677 (15) | −0.0201 (11) | 0.0065 (12) | −0.0057 (12) |
C4 | 0.0411 (9) | 0.0552 (13) | 0.0610 (13) | −0.0067 (10) | 0.0087 (9) | 0.0068 (10) |
C5 | 0.0415 (10) | 0.0789 (17) | 0.0973 (18) | −0.0113 (11) | 0.0209 (11) | 0.0012 (14) |
C6 | 0.0489 (9) | 0.0728 (16) | 0.1037 (16) | −0.0070 (11) | 0.0441 (10) | 0.0024 (13) |
C7 | 0.0503 (9) | 0.0586 (13) | 0.0653 (11) | 0.0055 (10) | 0.0347 (8) | 0.0095 (10) |
C8 | 0.0755 (12) | 0.0738 (15) | 0.0745 (13) | 0.0101 (12) | 0.0464 (10) | 0.0059 (12) |
C9 | 0.0926 (14) | 0.0749 (16) | 0.0504 (11) | 0.0048 (13) | 0.0370 (10) | −0.0085 (11) |
C10 | 0.0655 (12) | 0.0630 (14) | 0.0423 (11) | 0.0010 (11) | 0.0174 (10) | −0.0076 (10) |
C11 | 0.0404 (8) | 0.0459 (11) | 0.0490 (10) | 0.0021 (9) | 0.0194 (8) | 0.0065 (9) |
C12 | 0.0388 (8) | 0.0437 (11) | 0.0430 (10) | −0.0019 (8) | 0.0115 (8) | 0.0067 (9) |
N3 | 0.0397 (7) | 0.0433 (9) | 0.0416 (8) | −0.0014 (7) | 0.0106 (7) | 0.0034 (7) |
N4 | 0.0428 (7) | 0.0539 (10) | 0.0394 (8) | −0.0096 (7) | 0.0157 (6) | 0.0001 (7) |
C13 | 0.0499 (10) | 0.0491 (12) | 0.0552 (12) | 0.0018 (10) | 0.0110 (9) | 0.0019 (10) |
C14 | 0.0560 (11) | 0.0611 (14) | 0.0597 (13) | 0.0089 (11) | 0.0081 (11) | 0.0148 (11) |
C15 | 0.0786 (14) | 0.0534 (13) | 0.0672 (14) | 0.0151 (12) | 0.0221 (12) | 0.0167 (11) |
C16 | 0.0681 (11) | 0.0428 (12) | 0.0548 (11) | 0.0005 (10) | 0.0290 (9) | −0.0002 (9) |
C17 | 0.0996 (16) | 0.0433 (13) | 0.0782 (15) | 0.0027 (12) | 0.0362 (13) | 0.0015 (12) |
C18 | 0.1081 (15) | 0.0432 (13) | 0.0817 (15) | −0.0205 (12) | 0.0441 (13) | −0.0207 (11) |
C19 | 0.0692 (11) | 0.0510 (12) | 0.0531 (11) | −0.0202 (10) | 0.0307 (9) | −0.0148 (10) |
C20 | 0.0884 (14) | 0.0773 (16) | 0.0599 (13) | −0.0385 (13) | 0.0266 (12) | −0.0206 (12) |
C21 | 0.0612 (12) | 0.0965 (18) | 0.0504 (13) | −0.0247 (13) | 0.0106 (11) | −0.0145 (13) |
C22 | 0.0447 (10) | 0.0746 (15) | 0.0493 (12) | −0.0082 (11) | 0.0096 (9) | −0.0023 (11) |
C23 | 0.0554 (9) | 0.0430 (11) | 0.0441 (10) | −0.0082 (9) | 0.0274 (8) | −0.0003 (8) |
C24 | 0.0471 (9) | 0.0469 (11) | 0.0428 (10) | −0.0023 (9) | 0.0202 (8) | 0.0031 (9) |
N5 | 0.0400 (8) | 0.0562 (10) | 0.0624 (10) | 0.0024 (8) | 0.0149 (7) | 0.0138 (9) |
N6 | 0.1049 (6) | 0.1081 (6) | 0.1097 (6) | −0.0022 (5) | 0.0269 (5) | 0.0080 (5) |
N7 | 0.0621 (11) | 0.0808 (14) | 0.0790 (14) | 0.0190 (10) | 0.0019 (11) | −0.0020 (11) |
C25 | 0.0403 (9) | 0.0600 (13) | 0.0751 (14) | −0.0007 (10) | 0.0121 (10) | 0.0273 (11) |
C26 | 0.0482 (11) | 0.0583 (14) | 0.0644 (13) | 0.0002 (10) | 0.0097 (10) | 0.0113 (11) |
N8 | 0.0436 (7) | 0.0615 (11) | 0.0571 (9) | −0.0084 (8) | 0.0235 (7) | −0.0046 (8) |
N9 | 0.0643 (11) | 0.178 (2) | 0.0546 (11) | −0.0322 (13) | 0.0266 (9) | −0.0045 (13) |
N10 | 0.0813 (11) | 0.144 (2) | 0.0776 (13) | −0.0346 (12) | 0.0469 (10) | −0.0214 (13) |
C27 | 0.0449 (9) | 0.0627 (13) | 0.0523 (11) | −0.0203 (10) | 0.0161 (9) | −0.0111 (10) |
C28 | 0.0660 (11) | 0.0809 (16) | 0.0449 (11) | −0.0226 (11) | 0.0265 (9) | −0.0166 (10) |
Ni1—N5 | 2.0492 (16) | N3—C24 | 1.354 (2) |
Ni1—N8 | 2.0505 (19) | N4—C22 | 1.323 (2) |
Ni1—N4 | 2.0802 (16) | N4—C23 | 1.377 (2) |
Ni1—N1 | 2.0817 (14) | C13—C14 | 1.391 (3) |
Ni1—N2 | 2.1064 (17) | C13—H13A | 0.9300 |
Ni1—N3 | 2.1162 (15) | C14—C15 | 1.347 (3) |
N1—C1 | 1.327 (2) | C14—H14A | 0.9300 |
N1—C12 | 1.361 (2) | C15—C16 | 1.413 (3) |
N2—C10 | 1.316 (3) | C15—H15A | 0.9300 |
N2—C11 | 1.346 (2) | C16—C24 | 1.406 (3) |
C1—C2 | 1.395 (3) | C16—C17 | 1.426 (3) |
C1—H1A | 0.9300 | C17—C18 | 1.336 (3) |
C2—C3 | 1.357 (3) | C17—H17A | 0.9300 |
C2—H2A | 0.9300 | C18—C19 | 1.427 (3) |
C3—C4 | 1.400 (3) | C18—H18A | 0.9300 |
C3—H3A | 0.9300 | C19—C23 | 1.398 (3) |
C4—C12 | 1.398 (3) | C19—C20 | 1.401 (3) |
C4—C5 | 1.444 (3) | C20—C21 | 1.358 (3) |
C5—C6 | 1.322 (3) | C20—H20A | 0.9300 |
C5—H5A | 0.9300 | C21—C22 | 1.391 (3) |
C6—C7 | 1.424 (3) | C21—H21A | 0.9300 |
C6—H6A | 0.9300 | C22—H22A | 0.9300 |
C7—C11 | 1.410 (3) | C23—C24 | 1.433 (2) |
C7—C8 | 1.428 (3) | N5—C25 | 1.103 (3) |
C8—C9 | 1.357 (3) | N6—C25 | 1.298 (3) |
C8—H8A | 0.9300 | N6—C26 | 1.311 (3) |
C9—C10 | 1.409 (3) | N7—C26 | 1.107 (3) |
C9—H9A | 0.9300 | N8—C27 | 1.137 (3) |
C10—H10A | 0.9300 | N9—C27 | 1.288 (3) |
C11—C12 | 1.438 (3) | N9—C28 | 1.298 (3) |
N3—C13 | 1.322 (2) | N10—C28 | 1.132 (3) |
N5—Ni1—N8 | 94.21 (7) | N1—C12—C4 | 123.00 (18) |
N5—Ni1—N4 | 94.88 (6) | N1—C12—C11 | 116.19 (15) |
N8—Ni1—N4 | 93.49 (7) | C4—C12—C11 | 120.80 (18) |
N5—Ni1—N1 | 94.41 (6) | C13—N3—C24 | 117.05 (16) |
N8—Ni1—N1 | 93.26 (6) | C13—N3—Ni1 | 129.55 (13) |
N4—Ni1—N1 | 168.08 (6) | C24—N3—Ni1 | 113.39 (11) |
N5—Ni1—N2 | 89.03 (7) | C22—N4—C23 | 117.20 (17) |
N8—Ni1—N2 | 171.73 (6) | C22—N4—Ni1 | 128.83 (14) |
N4—Ni1—N2 | 93.82 (6) | C23—N4—Ni1 | 113.96 (11) |
N1—Ni1—N2 | 78.89 (6) | N3—C13—C14 | 123.68 (19) |
N5—Ni1—N3 | 173.15 (6) | N3—C13—H13A | 118.2 |
N8—Ni1—N3 | 89.08 (6) | C14—C13—H13A | 118.2 |
N4—Ni1—N3 | 78.91 (6) | C15—C14—C13 | 119.46 (19) |
N1—Ni1—N3 | 91.39 (6) | C15—C14—H14A | 120.3 |
N2—Ni1—N3 | 88.52 (6) | C13—C14—H14A | 120.3 |
C1—N1—C12 | 117.43 (15) | C14—C15—C16 | 119.8 (2) |
C1—N1—Ni1 | 128.61 (13) | C14—C15—H15A | 120.1 |
C12—N1—Ni1 | 113.39 (12) | C16—C15—H15A | 120.1 |
C10—N2—C11 | 118.17 (18) | C24—C16—C15 | 116.45 (18) |
C10—N2—Ni1 | 129.17 (14) | C24—C16—C17 | 118.75 (17) |
C11—N2—Ni1 | 112.58 (12) | C15—C16—C17 | 124.77 (19) |
N1—C1—C2 | 123.04 (19) | C18—C17—C16 | 121.7 (2) |
N1—C1—H1A | 118.5 | C18—C17—H17A | 119.2 |
C2—C1—H1A | 118.5 | C16—C17—H17A | 119.2 |
C3—C2—C1 | 119.5 (2) | C17—C18—C19 | 121.3 (2) |
C3—C2—H2A | 120.3 | C17—C18—H18A | 119.3 |
C1—C2—H2A | 120.3 | C19—C18—H18A | 119.3 |
C2—C3—C4 | 119.51 (19) | C23—C19—C20 | 116.66 (19) |
C2—C3—H3A | 120.2 | C23—C19—C18 | 118.66 (18) |
C4—C3—H3A | 120.2 | C20—C19—C18 | 124.7 (2) |
C12—C4—C3 | 117.5 (2) | C21—C20—C19 | 120.6 (2) |
C12—C4—C5 | 118.3 (2) | C21—C20—H20A | 119.7 |
C3—C4—C5 | 124.15 (19) | C19—C20—H20A | 119.7 |
C6—C5—C4 | 120.88 (19) | C20—C21—C22 | 118.99 (19) |
C6—C5—H5A | 119.6 | C20—C21—H21A | 120.5 |
C4—C5—H5A | 119.6 | C22—C21—H21A | 120.5 |
C5—C6—C7 | 122.4 (2) | N4—C22—C21 | 123.5 (2) |
C5—C6—H6A | 118.8 | N4—C22—H22A | 118.3 |
C7—C6—H6A | 118.8 | C21—C22—H22A | 118.3 |
C11—C7—C6 | 119.0 (2) | N4—C23—C19 | 123.08 (16) |
C11—C7—C8 | 115.71 (18) | N4—C23—C24 | 116.63 (16) |
C6—C7—C8 | 125.3 (2) | C19—C23—C24 | 120.28 (17) |
C9—C8—C7 | 119.7 (2) | N3—C24—C16 | 123.57 (16) |
C9—C8—H8A | 120.1 | N3—C24—C23 | 117.10 (16) |
C7—C8—H8A | 120.1 | C16—C24—C23 | 119.31 (17) |
C8—C9—C10 | 119.5 (2) | C25—N5—Ni1 | 169.47 (17) |
C8—C9—H9A | 120.2 | C25—N6—C26 | 126.3 (2) |
C10—C9—H9A | 120.2 | N5—C25—N6 | 171.3 (2) |
N2—C10—C9 | 122.73 (19) | N7—C26—N6 | 173.1 (3) |
N2—C10—H10A | 118.6 | C27—N8—Ni1 | 169.47 (17) |
C9—C10—H10A | 118.6 | C27—N9—C28 | 123.33 (19) |
N2—C11—C7 | 124.06 (18) | N8—C27—N9 | 172.4 (2) |
N2—C11—C12 | 117.49 (17) | N10—C28—N9 | 172.6 (2) |
C7—C11—C12 | 118.45 (16) |