The title complex, [Co(C6H15NO3)2](C10H8O6), comprises a CoII cation, coordinated centrosymmetrically in an octahedral N2O4 mode by two tridentate triethanolamine ligands, and a centrosymmetric benzene-1,4-dioxyacetate dianion. The ions are linked by hydrogen bonds into a supramolecular network.
Supporting information
CCDC reference: 238671
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.006 Å
- R factor = 0.056
- wR factor = 0.165
- Data-to-parameter ratio = 16.6
checkCIF/PLATON results
No syntax errors found
Alert level A
PLAT410_ALERT_2_A Short Intra H...H Contact H2'1 .. H6B .. 1.65 Ang.
| Author Response: ... arising from the interactions
between disorder carbon atoms.
|
Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.19
PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 2.82 Ratio
PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C6
PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C5
PLAT301_ALERT_3_C Main Residue Disorder ......................... 18.00 Perc.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 8
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2
C10 H8 O6
1 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
8 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
5 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
2 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.
Bis(triethanolamine)cobalt(II) benzene-1,4-dioxydiacetate
top
Crystal data top
[Co(C6H15NO3)2](C10H8O6) | F(000) = 614 |
Mr = 581.47 | Dx = 1.463 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 5364 reflections |
a = 11.116 (2) Å | θ = 3.1–27.4° |
b = 10.480 (2) Å | µ = 0.72 mm−1 |
c = 11.369 (2) Å | T = 293 K |
β = 94.88 (3)° | Block, pink |
V = 1319.7 (4) Å3 | 0.38 × 0.27 × 0.18 mm |
Z = 2 | |
Data collection top
Rigaku RAXIS-RAPID diffractometer | 3013 independent reflections |
Radiation source: fine-focus sealed tube | 1996 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.026 |
Detector resolution: 10 pixels mm-1 | θmax = 27.5°, θmin = 3.1° |
ω scans | h = −14→14 |
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | k = −13→13 |
Tmin = 0.773, Tmax = 0.882 | l = −14→14 |
5772 measured reflections | |
Refinement top
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)] = 0.056 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.165 | H-atom parameters constrained |
S = 0.98 | w = 1/[σ2(Fo2) + (0.1059P)2] where P = (Fo2 + 2Fc2)/3 |
3013 reflections | (Δ/σ)max = 0.001 |
182 parameters | Δρmax = 1.05 e Å−3 |
6 restraints | Δρmin = −0.48 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Co1 | 0.5000 | 0.5000 | 0.5000 | 0.0322 (2) | |
N1 | 0.4123 (2) | 0.3220 (3) | 0.4449 (2) | 0.0381 (7) | |
O1 | 0.6213 (2) | 0.4428 (2) | 0.3822 (2) | 0.0394 (6) | |
O2 | 0.3765 (2) | 0.5702 (2) | 0.3650 (2) | 0.0416 (6) | |
O3 | 0.3526 (4) | 0.0319 (5) | 0.6141 (5) | 0.112 (2) | |
O4 | 0.1466 (3) | −0.0695 (3) | 0.6931 (2) | 0.0612 (8) | |
O5 | −0.0443 (2) | −0.1339 (3) | 0.6648 (2) | 0.0570 (8) | |
O6 | −0.0020 (2) | −0.2408 (3) | 0.4505 (2) | 0.0475 (7) | |
C1 | 0.603 (1) | 0.3082 (9) | 0.364 (2) | 0.046 (3) | 0.50 |
C2 | 0.4719 (7) | 0.2737 (8) | 0.3408 (6) | 0.046 (1) | 0.50 |
C3 | 0.284 (1) | 0.479 (1) | 0.326 (3) | 0.048 (4) | 0.50 |
C4 | 0.2824 (6) | 0.3658 (8) | 0.4081 (7) | 0.047 (1) | 0.50 |
C5 | 0.3273 (5) | 0.1149 (5) | 0.5209 (4) | 0.070 (1) | |
C6 | 0.3935 (6) | 0.2392 (5) | 0.5429 (4) | 0.078 (2) | |
C7 | 0.0592 (3) | −0.1194 (4) | 0.6342 (3) | 0.0418 (8) | |
C8 | 0.0857 (4) | −0.1617 (4) | 0.5105 (3) | 0.0463 (9) | |
C9 | 0.0021 (3) | −0.3693 (4) | 0.4787 (3) | 0.0383 (8) | |
C10 | −0.0568 (3) | −0.4507 (4) | 0.3979 (3) | 0.0421 (8) | |
C11 | −0.0591 (3) | −0.5815 (4) | 0.4183 (3) | 0.0412 (8) | |
C1' | 0.601 (1) | 0.3180 (9) | 0.332 (2) | 0.046 (3) | 0.50 |
C2' | 0.5214 (7) | 0.2461 (7) | 0.4093 (7) | 0.046 (1) | 0.50 |
C3' | 0.276 (1) | 0.483 (1) | 0.349 (3) | 0.048 (4) | 0.50 |
C4' | 0.3241 (6) | 0.3491 (8) | 0.3436 (6) | 0.047 (1) | 0.50 |
H1 | 0.6769 | 0.4941 | 0.3478 | 0.047* | |
H2 | 0.3807 | 0.6520 | 0.3339 | 0.050* | |
H3 | 0.2941 | 0.0275 | 0.6534 | 0.134* | |
H10 | −0.0955 | −0.4178 | 0.3288 | 0.051* | |
H11 | −0.0988 | −0.6356 | 0.3630 | 0.049* | |
H1'1 | 0.6771 | 0.2736 | 0.3277 | 0.055* | 0.50 |
H1'2 | 0.5619 | 0.3251 | 0.2522 | 0.055* | 0.50 |
H2'1 | 0.5696 | 0.2199 | 0.4804 | 0.055* | 0.50 |
H2'2 | 0.4925 | 0.1694 | 0.3683 | 0.055* | 0.50 |
H3'1 | 0.2276 | 0.5033 | 0.2761 | 0.058* | 0.50 |
H3'2 | 0.2255 | 0.4913 | 0.4138 | 0.058* | 0.50 |
H4'1 | 0.2576 | 0.2892 | 0.3435 | 0.056* | 0.50 |
H4'2 | 0.3624 | 0.3377 | 0.2707 | 0.056* | 0.50 |
H1A | 0.6369 | 0.2625 | 0.4333 | 0.055* | 0.50 |
H1B | 0.6460 | 0.2812 | 0.2975 | 0.055* | 0.50 |
H2A | 0.4374 | 0.3137 | 0.2687 | 0.055* | 0.50 |
H2B | 0.4623 | 0.1819 | 0.3333 | 0.055* | 0.50 |
H3A | 0.2995 | 0.4488 | 0.2474 | 0.058* | 0.50 |
H3B | 0.2064 | 0.5203 | 0.3201 | 0.058* | 0.50 |
H4A | 0.2373 | 0.2964 | 0.3690 | 0.056* | 0.50 |
H4B | 0.2427 | 0.3896 | 0.4776 | 0.056* | 0.50 |
H5A | 0.2411 | 0.1309 | 0.5108 | 0.084* | |
H5B | 0.3511 | 0.0765 | 0.4488 | 0.084* | |
H6A | 0.3502 | 0.2878 | 0.5984 | 0.094* | |
H6B | 0.4722 | 0.2194 | 0.5821 | 0.094* | |
H8A | 0.0952 | −0.0861 | 0.4630 | 0.056* | |
H8B | 0.1622 | −0.2067 | 0.5164 | 0.056* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Co1 | 0.0370 (3) | 0.0345 (4) | 0.0253 (3) | −0.0001 (3) | 0.0046 (2) | −0.0007 (3) |
N1 | 0.045 (2) | 0.041 (2) | 0.029 (1) | −0.006 (1) | 0.005 (1) | 0.000 (1) |
O1 | 0.040 (1) | 0.045 (1) | 0.035 (1) | −0.004 (1) | 0.009 (1) | −0.000 (1) |
O2 | 0.050 (1) | 0.039 (2) | 0.036 (1) | −0.002 (1) | 0.004 (1) | 0.005 (1) |
O3 | 0.094 (3) | 0.116 (4) | 0.122 (4) | −0.036 (3) | −0.016 (3) | 0.054 (3) |
O4 | 0.070 (2) | 0.074 (2) | 0.042 (2) | −0.023 (2) | 0.017 (1) | −0.016 (2) |
O5 | 0.052 (2) | 0.079 (2) | 0.041 (2) | 0.003 (1) | 0.007 (1) | −0.016 (1) |
O6 | 0.065 (2) | 0.043 (2) | 0.034 (1) | 0.006 (1) | −0.004 (1) | −0.001 (1) |
C1 | 0.050 (2) | 0.046 (3) | 0.04 (1) | 0.004 (2) | 0.010 (4) | −0.012 (4) |
C2 | 0.056 (4) | 0.042 (3) | 0.040 (3) | −0.004 (3) | 0.009 (3) | −0.009 (3) |
C3 | 0.035 (2) | 0.057 (3) | 0.052 (9) | −0.001 (2) | 0.003 (4) | 0.000 (3) |
C4 | 0.044 (3) | 0.057 (3) | 0.039 (3) | −0.010 (3) | 0.002 (2) | 0.002 (3) |
C5 | 0.084 (3) | 0.062 (3) | 0.066 (3) | −0.023 (3) | 0.012 (2) | 0.020 (2) |
C6 | 0.116 (4) | 0.077 (4) | 0.040 (2) | −0.052 (3) | −0.007 (2) | 0.012 (2) |
C7 | 0.060 (2) | 0.035 (2) | 0.031 (2) | 0.003 (2) | 0.007 (2) | 0.002 (2) |
C8 | 0.062 (2) | 0.044 (2) | 0.033 (2) | 0.000 (2) | 0.006 (2) | −0.002 (2) |
C9 | 0.044 (2) | 0.043 (2) | 0.029 (2) | 0.008 (2) | 0.008 (2) | 0.001 (1) |
C10 | 0.050 (2) | 0.049 (2) | 0.027 (2) | 0.007 (2) | −0.003 (2) | −0.002 (2) |
C11 | 0.046 (2) | 0.045 (2) | 0.032 (2) | 0.002 (2) | −0.002 (2) | −0.006 (2) |
C1' | 0.050 (2) | 0.046 (3) | 0.04 (1) | 0.004 (2) | 0.010 (4) | −0.012 (4) |
C2' | 0.056 (4) | 0.042 (3) | 0.040 (3) | −0.004 (3) | 0.009 (3) | −0.009 (3) |
C3' | 0.035 (2) | 0.057 (3) | 0.052 (9) | −0.001 (2) | 0.003 (4) | 0.000 (3) |
C4' | 0.044 (3) | 0.057 (3) | 0.039 (3) | −0.010 (3) | 0.002 (2) | 0.002 (3) |
Geometric parameters (Å, º) top
Co1—O1 | 2.068 (2) | C3—H3A | 0.9700 |
Co1—O2 | 2.103 (2) | C3—H3B | 0.9700 |
Co1—N1 | 2.172 (3) | C4—H4A | 0.9700 |
Co1—O1i | 2.068 (2) | C4—H4B | 0.9700 |
Co1—O2i | 2.103 (2) | C5—C6 | 1.507 (7) |
Co1—N1i | 2.172 (3) | C5—H5A | 0.9700 |
N1—C2 | 1.494 (7) | C5—H5B | 0.9700 |
N1—C4 | 1.538 (7) | C6—H6A | 0.9700 |
N1—C6 | 1.441 (5) | C6—H6B | 0.9700 |
N1—C2' | 1.533 (7) | C7—C8 | 1.527 (5) |
N1—C4' | 1.475 (7) | C8—H8A | 0.9700 |
O1—C1 | 1.437 (8) | C8—H8B | 0.9700 |
O1—C1' | 1.439 (8) | C9—C10 | 1.378 (5) |
O1—H1 | 0.9300 | C9—C11ii | 1.383 (5) |
O2—C3' | 1.441 (8) | C10—C11 | 1.391 (6) |
O2—C3 | 1.443 (8) | C10—H10 | 0.9300 |
O2—H2 | 0.9300 | C11—C9ii | 1.383 (5) |
O3—C5 | 1.382 (6) | C11—H11 | 0.9300 |
O3—H3 | 0.8200 | C1'—C2' | 1.51 (1) |
O4—C7 | 1.247 (5) | C1'—H1'1 | 0.9700 |
O5—C7 | 1.239 (4) | C1'—H1'2 | 0.9700 |
O6—C8 | 1.411 (5) | C2'—H2'1 | 0.9700 |
O6—C9 | 1.384 (5) | C2'—H2'2 | 0.9700 |
C1—C2 | 1.50 (1) | C3'—H3'1 | 0.9700 |
C1—H1A | 0.9700 | C3'—H3'2 | 0.9700 |
C1—H1B | 0.9700 | C3'—C4' | 1.51 (2) |
C2—H2A | 0.9700 | C4'—H4'1 | 0.9700 |
C2—H2B | 0.9700 | C4'—H4'2 | 0.9700 |
C3—C4 | 1.51 (2) | | |
| | | |
O1—Co1—O1i | 180 | C3—O2—Co1 | 113.3 (5) |
O1—Co1—O2 | 92.87 (9) | C3—O2—H2 | 123.4 |
O1—Co1—O2i | 87.13 (9) | C3—C4—N1 | 109.7 (8) |
O1—Co1—N1 | 82.3 (1) | C3—C4—H4A | 109.7 |
O1—Co1—N1i | 97.7 (1) | C3—C4—H4B | 109.7 |
O1—Co1—O2i | 87.13 (9) | C4—N1—Co1 | 102.1 (4) |
O1i—Co1—O2i | 92.87 (9) | C4—C3—H3A | 109.2 |
O1i—Co1—N1i | 82.3 (1) | C4—C3—H3B | 109.2 |
O1i—Co1—N1 | 97.7 (1) | C5—O3—H3 | 109.5 |
O1—C1—C2 | 113 (1) | C5—C6—H6A | 107.4 |
O1—C1—H1A | 109.1 | C5—C6—H6B | 107.4 |
O1—C1—H1B | 109.1 | C6—N1—Co1 | 112.6 (2) |
O1—C1'—C2' | 107.5 (8) | C6—N1—C2 | 120.8 (5) |
O1—C1'—H1'1 | 110.2 | C6—N1—C4 | 101.2 (4) |
O1—C1'—H1'2 | 110.2 | C6—N1—C2' | 93.5 (5) |
O2—Co1—O2i | 180 | C6—N1—C4' | 126.1 (4) |
O2—Co1—N1i | 99.2 (1) | C6—C5—H5A | 109.5 |
O2i—Co1—N1i | 80.8 (1) | C6—C5—H5B | 109.5 |
O2—Co1—N1 | 80.8 (1) | C7—C8—H8A | 108.3 |
O2i—Co1—N1 | 99.2 (1) | C7—C8—H8B | 108.3 |
O2—C3—C4 | 112 (1) | C9—O6—C8 | 116.8 (3) |
O2—C3—H3A | 109.2 | C9—C10—C11 | 120.9 (3) |
O2—C3—H3B | 109.2 | C9ii—C11—C10 | 119.7 (3) |
O2—C3'—C4' | 109 (1) | C9—C10—H10 | 119.5 |
O2—C3'—H3'1 | 109.9 | C9ii—C11—H11 | 120.2 |
O2—C3'—H3'2 | 109.9 | C10—C9—O6 | 116.4 (3) |
Co1—O1—H1 | 126.7 | C10—C9—C11ii | 119.4 (4) |
Co1—O2—H2 | 123.4 | C10—C11—H11 | 120.2 |
N1i—Co1—N1 | 180 | C11ii—C9—O6 | 124.2 (3) |
N1—C2—C1 | 105.5 (7) | C11—C10—H10 | 119.5 |
N1—C2—H2A | 110.6 | C1'—O1—Co1 | 115.7 (4) |
N1—C2—H2B | 110.6 | C1'—O1—H1 | 116.4 |
N1—C4—H4A | 109.7 | C1'—C2'—N1 | 114.4 (8) |
N1—C4—H4B | 109.7 | C1'—C2'—H2'1 | 108.7 |
N1—C6—C5 | 119.6 (4) | C1'—C2'—H2'2 | 108.7 |
N1—C6—H6A | 107.4 | C2'—N1—Co1 | 100.2 (3) |
N1—C6—H6B | 107.4 | C2'—N1—C4 | 145.9 (5) |
N1—C2'—H2'1 | 108.7 | C2'—C1'—H1'1 | 110.2 |
N1—C2'—H2'2 | 108.7 | C2'—C1'—H1'2 | 110.2 |
N1—C4'—C3' | 111.3 (9) | C3'—O2—Co1 | 108.8 (6) |
N1—C4'—H4'1 | 109.4 | C3'—O2—H2 | 126.6 |
N1—C4'—H4'2 | 109.4 | C3'—C4'—H4'1 | 109.4 |
O3—C5—C6 | 110.7 (4) | C3'—C4'—H4'2 | 109.4 |
O3—C5—H5A | 109.5 | C4'—N1—Co1 | 108.2 (4) |
O3—C5—H5B | 109.5 | C4'—N1—C2 | 75.9 (5) |
O4—C7—C8 | 114.4 (3) | C4'—N1—C2' | 112.4 (5) |
O5—C7—O4 | 126.9 (3) | C4'—C3'—H3'1 | 109.9 |
O5—C7—C8 | 118.6 (3) | C4'—C3'—H3'2 | 109.9 |
O6—C8—C7 | 115.9 (3) | H1A—C1—H1B | 107.8 |
O6—C8—H8A | 108.3 | H2A—C2—H2B | 108.8 |
O6—C8—H8B | 108.3 | H3A—C3—H3B | 107.9 |
C1—O1—Co1 | 106.6 (5) | H4A—C4—H4B | 108.2 |
C1—O1—H1 | 126.7 | H5A—C5—H5B | 108.1 |
C1—C2—H2A | 110.6 | H6A—C6—H6B | 107.0 |
C1—C2—H2B | 110.6 | H8A—C8—H8B | 107.4 |
C2—N1—Co1 | 107.6 (3) | H1'1—C1'—H1'2 | 108.5 |
C2—N1—C4 | 110.8 (5) | H2'1—C2'—H2'2 | 107.6 |
C2—C1—H1A | 109.1 | H3'1—C3'—H3'2 | 108.3 |
C2—C1—H1B | 109.1 | H4'1—C4'—H4'2 | 108.0 |
| | | |
Co1—N1—C2—C1 | 36.0 (8) | O2—Co1—N1—C4' | 3.0 (4) |
Co1—N1—C4—C3 | 50 (1) | O2i—Co1—N1—C4' | −177.0 (4) |
Co1—N1—C6—C5 | 176.5 (4) | O2—Co1—O1—C1 | −98.9 (9) |
Co1—N1—C2'—C1' | −47.5 (9) | O2i—Co1—O1—C1 | 81.1 (9) |
Co1—N1—C4'—C3' | −29 (1) | O2—Co1—O1—C1' | −86 (1) |
Co1—O1—C1—C2 | 47 (1) | O2i—Co1—O1—C1' | 94 (1) |
Co1—O1—C1'—C2' | −19 (2) | O2—C3—C4—N1 | −43 (2) |
Co1—O2—C3—C4 | 13 (2) | O2—C3'—C4'—N1 | 51 (2) |
Co1—O2—C3'—C4' | −47 (2) | O3—C5—C6—N1 | 159.9 (5) |
N1—Co1—O1—C1 | −18.5 (9) | O4—C7—C8—O6 | 167.8 (3) |
N1i—Co1—O1—C1 | 161.5 (9) | O5—C7—C8—O6 | −14.2 (5) |
N1—Co1—O1—C1' | −6 (1) | O6—C9—C10—C11 | −179.4 (3) |
N1i—Co1—O1—C1' | 175 (1) | C1—O1—C1'—C2' | 37 (3) |
N1i—Co1—O2—C3 | −167 (1) | C2—N1—C4—C3 | −65 (1) |
N1—Co1—O2—C3 | 13 (1) | C2—N1—C6—C5 | −54.5 (8) |
N1—Co1—O2—C3' | 24 (1) | C2—N1—C2'—C1' | 58 (1) |
N1i—Co1—O2—C3' | −156 (1) | C2—N1—C4'—C3' | −133 (1) |
O1i—Co1—N1—C2 | 169.4 (4) | C3—O2—C3'—C4' | 68 (4) |
O1—Co1—N1—C2 | −10.6 (4) | C4—N1—C2—C1 | 146.8 (8) |
O1i—Co1—N1—C4 | 52.7 (3) | C4—N1—C6—C5 | 68.2 (7) |
O1—Co1—N1—C4 | −127.3 (3) | C4—N1—C2'—C1' | 83 (1) |
O1i—Co1—N1—C6 | −55.1 (4) | C4—N1—C4'—C3' | 56 (1) |
O1—Co1—N1—C6 | 124.9 (4) | C6—N1—C2—C1 | −95.2 (9) |
O1i—Co1—N1—C2' | −153.3 (3) | C6—N1—C4—C3 | 166 (1) |
O1—Co1—N1—C2' | 26.7 (3) | C6—N1—C2'—C1' | −161.3 (9) |
O1i—Co1—N1—C4' | 88.9 (4) | C6—N1—C4'—C3' | 109 (1) |
O1—Co1—N1—C4' | −91.1 (4) | C8—O6—C9—C10 | −160.9 (3) |
O1i—Co1—O2—C3 | −86 (1) | C8—O6—C9—C11ii | 20.1 (5) |
O1—Co1—O2—C3 | 94 (1) | C9—O6—C8—C7 | −81.2 (4) |
O1—Co1—O2—C3' | 106 (1) | C9—C10—C11—C9ii | 0.3 (6) |
O1i—Co1—O2—C3' | −74 (1) | C11ii—C9—C10—C11 | −0.3 (6) |
O1—C1—C2—N1 | −57 (1) | C1'—O1—C1—C2 | −82 (4) |
O1—C1'—C2'—N1 | 46 (2) | C2'—N1—C2—C1 | −47.5 (9) |
O2—Co1—N1—C2 | 83.6 (4) | C2'—N1—C4—C3 | −80 (2) |
O2i—Co1—N1—C2 | −96.4 (4) | C2'—N1—C6—C5 | −80.9 (7) |
O2—Co1—N1—C4 | −33.1 (3) | C2'—N1—C4'—C3' | −139 (1) |
O2i—Co1—N1—C4 | 146.9 (3) | C3'—O2—C3—C4 | −57 (4) |
O2—Co1—N1—C6 | −140.9 (4) | C4'—N1—C2—C1 | 141.0 (9) |
O2i—Co1—N1—C6 | 39.1 (4) | C4'—N1—C4—C3 | −55 (1) |
O2—Co1—N1—C2' | 120.9 (3) | C4'—N1—C2'—C1' | 67 (1) |
O2i—Co1—N1—C2' | −59.1 (3) | C4'—N1—C6—C5 | 40.3 (9) |
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x, −y−1, −z+1. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1—H1···O4iii | 0.93 | 1.93 | 2.564 (4) | 123 |
O2—H2···O5iii | 0.93 | 2.17 | 2.597 (3) | 107 |
O3—H3···O4 | 0.82 | 2.01 | 2.743 (5) | 148 |
Symmetry code: (iii) x+1/2, −y+1/2, z−1/2. |