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The title compound, [Mn(C
6H
2O
4S)(C
10H
8N
2)(H
2O)
3]·0.5C
10H
8N
2·3H
2O or [Mn(tdc)(bpy)(H
2O)
3]·3H
2O·0.5(bpyn) (tdc is thiophene-2,5-dicarboxylate, bpy is 2,2'-bipyridine and bpyn is 4,4'-bipyridine), crystallizes in space group
P. Complex molecules are linked into one-dimensional chains, running along the
b axis, by hydrogen bonds between the coordinated aqua ligands and uncoordinated carboxylate groups of tdc. Double-stranded chains consist of two of the one-dimensional chains and uncoordinated centrosymmetric bpyn molecules, connected by hydrogen bonds between N atoms of the bpyn molecules and coordinated aqua ligands. These double chains are further assembled into layers parallel to the
ab plane, which extend into three-dimensional networks
via hydrogen bonds between the coordinated and uncoordinated water molecules, and O atoms of tdc.
Supporting information
CCDC reference: 242293
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.004 Å
- R factor = 0.048
- wR factor = 0.139
- Data-to-parameter ratio = 18.4
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C19
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
2 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
1 ALERT type 2 Indicator that the structure model may be wrong or deficient
0 ALERT type 3 Indicator that the structure quality may be low
0 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: r3m software (Siemens, 1990); cell refinement: r3m software; data reduction: r3m software; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 1998); software used to prepare material for publication: SHELXL97.
Triaqua(2,2'-bipyridine)(thiophene-2,5-dicarboxylato)manganese 4,4'-bipyridine
hemisolvate trihydrate
top
Crystal data top
[Mn(C6H2O4S)(C10H8N2)(H2O)3]·0.5C10H8N2·3H2O | Z = 2 |
Mr = 567.45 | F(000) = 588 |
Triclinic, P1 | Dx = 1.462 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 9.172 (3) Å | Cell parameters from 25 reflections |
b = 12.014 (7) Å | θ = 2–28° |
c = 12.597 (8) Å | µ = 0.65 mm−1 |
α = 75.150 (1)° | T = 293 K |
β = 73.950 (1)° | Block, pale green |
γ = 86.79 (1)° | 0.51 × 0.43 × 0.36 mm |
V = 1289.3 (12) Å3 | |
Data collection top
Siemens r3m diffractometer | 5369 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.053 |
Graphite monochromator | θmax = 28.0°, θmin = 2.1° |
ω scan | h = 0→12 |
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 1996) | k = −15→15 |
Tmin = 0.733, Tmax = 0.800 | l = −15→16 |
6573 measured reflections | 2 standard reflections every 200 reflections |
6198 independent reflections | intensity decay: none |
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)] = 0.048 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.139 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.05 | w = 1/[σ2(Fo2) + (0.088P)2 + 0.5664P] where P = (Fo2 + 2Fc2)/3 |
6198 reflections | (Δ/σ)max = 0.001 |
337 parameters | Δρmax = 0.30 e Å−3 |
0 restraints | Δρmin = −0.42 e Å−3 |
Special details top
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Mn1 | 0.26609 (3) | 0.11949 (2) | 0.26332 (3) | 0.03350 (11) | |
S1 | 0.13381 (6) | −0.29640 (4) | 0.32183 (5) | 0.03581 (14) | |
C1 | 0.0634 (2) | −0.52595 (16) | 0.34884 (17) | 0.0325 (4) | |
C2 | 0.0073 (2) | −0.40915 (16) | 0.35952 (16) | 0.0308 (4) | |
C3 | −0.1384 (2) | −0.37494 (17) | 0.3980 (2) | 0.0379 (4) | |
H3A | −0.2225 | −0.4240 | 0.4216 | 0.046* | |
C4 | −0.1475 (2) | −0.25700 (17) | 0.3979 (2) | 0.0390 (5) | |
H4A | −0.2380 | −0.2203 | 0.4222 | 0.047* | |
C5 | −0.0087 (2) | −0.20310 (16) | 0.35824 (17) | 0.0320 (4) | |
C6 | 0.0265 (2) | −0.07953 (16) | 0.34426 (17) | 0.0331 (4) | |
C7 | 0.1564 (3) | 0.2094 (2) | 0.0343 (3) | 0.0526 (6) | |
H7A | 0.0617 | 0.2078 | 0.0862 | 0.063* | |
C8 | 0.1681 (4) | 0.2543 (3) | −0.0800 (3) | 0.0629 (7) | |
H8A | 0.0827 | 0.2805 | −0.1047 | 0.075* | |
C9 | 0.3080 (4) | 0.2595 (3) | −0.1564 (3) | 0.0705 (9) | |
H9A | 0.3200 | 0.2919 | −0.2337 | 0.085* | |
C10 | 0.4320 (4) | 0.2157 (3) | −0.1169 (2) | 0.0653 (8) | |
H10A | 0.5276 | 0.2171 | −0.1677 | 0.078* | |
C11 | 0.4116 (3) | 0.16995 (19) | −0.0010 (2) | 0.0401 (5) | |
C12 | 0.5390 (2) | 0.12150 (18) | 0.04776 (18) | 0.0369 (4) | |
C13 | 0.6839 (3) | 0.1122 (2) | −0.0211 (2) | 0.0507 (6) | |
H13A | 0.7035 | 0.1334 | −0.1002 | 0.061* | |
C14 | 0.7978 (3) | 0.0712 (3) | 0.0292 (3) | 0.0607 (7) | |
H14A | 0.8956 | 0.0649 | −0.0158 | 0.073* | |
C15 | 0.7670 (3) | 0.0395 (3) | 0.1460 (3) | 0.0610 (7) | |
H15A | 0.8432 | 0.0133 | 0.1816 | 0.073* | |
C16 | 0.6196 (3) | 0.0477 (2) | 0.2088 (2) | 0.0506 (6) | |
H16A | 0.5976 | 0.0244 | 0.2879 | 0.061* | |
C17 | 0.7183 (3) | 0.3657 (3) | 0.1658 (2) | 0.0625 (7) | |
H17A | 0.6808 | 0.3253 | 0.2415 | 0.075* | |
C18 | 0.8632 (3) | 0.4115 (3) | 0.1322 (2) | 0.0576 (7) | |
H18A | 0.9207 | 0.4007 | 0.1842 | 0.069* | |
C19 | 0.9225 (2) | 0.47371 (19) | 0.02058 (18) | 0.0376 (4) | |
C20 | 0.8289 (3) | 0.4849 (3) | −0.0510 (2) | 0.0582 (7) | |
H20A | 0.8620 | 0.5267 | −0.1267 | 0.070* | |
C21 | 0.6864 (3) | 0.4337 (3) | −0.0098 (3) | 0.0642 (8) | |
H21A | 0.6273 | 0.4404 | −0.0603 | 0.077* | |
N1 | 0.2748 (2) | 0.16791 (16) | 0.07422 (17) | 0.0406 (4) | |
N2 | 0.5065 (2) | 0.08749 (16) | 0.16233 (16) | 0.0379 (4) | |
N3 | 0.6289 (2) | 0.3754 (2) | 0.0976 (2) | 0.0552 (5) | |
O1 | 0.20460 (18) | −0.53679 (13) | 0.31611 (15) | 0.0430 (4) | |
O2 | −0.03369 (18) | −0.60434 (12) | 0.37046 (14) | 0.0403 (3) | |
O3 | 0.16028 (19) | −0.04420 (13) | 0.29065 (16) | 0.0469 (4) | |
O4 | −0.07977 (19) | −0.01843 (13) | 0.38401 (16) | 0.0465 (4) | |
O5 | 0.3163 (2) | 0.05771 (15) | 0.42945 (14) | 0.0451 (4) | |
H5B | 0.2437 | 0.0529 | 0.4895 | 0.068 (10)* | |
H5C | 0.3945 | 0.0963 | 0.4297 | 0.117 (17)* | |
O6 | 0.04589 (19) | 0.19252 (14) | 0.31809 (18) | 0.0531 (5) | |
H6B | −0.0158 | 0.1379 | 0.3584 | 0.094 (13)* | |
H6C | 0.0206 | 0.2525 | 0.3428 | 0.051 (8)* | |
O7 | 0.3535 (2) | 0.28717 (14) | 0.24810 (18) | 0.0561 (5) | |
H7B | 0.4303 | 0.3146 | 0.1933 | 0.082 (12)* | |
H7C | 0.3032 | 0.3435 | 0.2681 | 0.087 (12)* | |
O8 | 0.4604 (2) | 0.54419 (19) | 0.35695 (19) | 0.0623 (5) | |
H8B | 0.3834 | 0.5165 | 0.3469 | 0.079 (12)* | |
H8C | 0.5097 | 0.4852 | 0.3802 | 0.075 (11)* | |
O9 | 0.3505 (2) | 0.63232 (15) | 0.54676 (18) | 0.0539 (4) | |
H9B | 0.2547 | 0.6226 | 0.5692 | 0.085 (12)* | |
H9C | 0.3864 | 0.6148 | 0.4834 | 0.105 (16)* | |
O10 | 0.4654 (3) | 0.8490 (2) | 0.5090 (3) | 0.0852 (8) | |
H10B | 0.4091 | 0.8964 | 0.4765 | 0.125 (19)* | |
H10C | 0.4112 | 0.7879 | 0.5374 | 0.113 (17)* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Mn1 | 0.03089 (17) | 0.02409 (16) | 0.04160 (19) | −0.00074 (11) | −0.00017 (12) | −0.01165 (12) |
S1 | 0.0337 (3) | 0.0244 (2) | 0.0453 (3) | −0.00129 (18) | −0.0020 (2) | −0.01078 (19) |
C1 | 0.0421 (10) | 0.0247 (9) | 0.0323 (9) | 0.0039 (7) | −0.0102 (8) | −0.0103 (7) |
C2 | 0.0378 (10) | 0.0231 (8) | 0.0318 (9) | −0.0018 (7) | −0.0078 (7) | −0.0087 (7) |
C3 | 0.0351 (10) | 0.0254 (9) | 0.0543 (12) | −0.0045 (7) | −0.0094 (9) | −0.0135 (8) |
C4 | 0.0345 (10) | 0.0262 (9) | 0.0564 (13) | 0.0012 (8) | −0.0079 (9) | −0.0156 (9) |
C5 | 0.0378 (10) | 0.0209 (8) | 0.0361 (9) | 0.0004 (7) | −0.0073 (8) | −0.0078 (7) |
C6 | 0.0390 (10) | 0.0223 (8) | 0.0365 (10) | −0.0038 (7) | −0.0059 (8) | −0.0087 (7) |
C7 | 0.0453 (13) | 0.0482 (13) | 0.0679 (17) | 0.0103 (10) | −0.0178 (12) | −0.0201 (12) |
C8 | 0.0673 (18) | 0.0562 (16) | 0.0745 (19) | 0.0096 (14) | −0.0390 (16) | −0.0134 (14) |
C9 | 0.075 (2) | 0.080 (2) | 0.0540 (16) | −0.0060 (17) | −0.0276 (15) | 0.0016 (15) |
C10 | 0.0533 (16) | 0.084 (2) | 0.0481 (14) | −0.0119 (15) | −0.0107 (12) | 0.0010 (14) |
C11 | 0.0393 (11) | 0.0360 (10) | 0.0432 (11) | −0.0037 (8) | −0.0078 (9) | −0.0096 (9) |
C12 | 0.0352 (10) | 0.0328 (10) | 0.0393 (10) | −0.0014 (8) | −0.0024 (8) | −0.0112 (8) |
C13 | 0.0418 (12) | 0.0562 (14) | 0.0453 (12) | 0.0002 (10) | 0.0052 (10) | −0.0158 (11) |
C14 | 0.0335 (12) | 0.0723 (19) | 0.0671 (18) | 0.0068 (12) | 0.0020 (11) | −0.0197 (14) |
C15 | 0.0416 (13) | 0.0724 (19) | 0.0690 (18) | 0.0157 (13) | −0.0165 (12) | −0.0193 (15) |
C16 | 0.0461 (13) | 0.0565 (15) | 0.0462 (13) | 0.0134 (11) | −0.0106 (10) | −0.0122 (11) |
C17 | 0.0552 (16) | 0.0729 (19) | 0.0459 (14) | −0.0208 (14) | 0.0004 (12) | −0.0018 (13) |
C18 | 0.0544 (15) | 0.0709 (18) | 0.0412 (13) | −0.0197 (13) | −0.0127 (11) | 0.0010 (12) |
C19 | 0.0344 (10) | 0.0398 (11) | 0.0359 (10) | 0.0004 (8) | −0.0059 (8) | −0.0085 (8) |
C20 | 0.0437 (13) | 0.083 (2) | 0.0428 (13) | −0.0121 (13) | −0.0130 (11) | −0.0022 (13) |
C21 | 0.0427 (14) | 0.087 (2) | 0.0629 (17) | −0.0099 (14) | −0.0179 (12) | −0.0129 (15) |
N1 | 0.0384 (9) | 0.0348 (9) | 0.0488 (10) | 0.0038 (7) | −0.0091 (8) | −0.0144 (8) |
N2 | 0.0347 (9) | 0.0360 (9) | 0.0401 (9) | 0.0043 (7) | −0.0035 (7) | −0.0121 (7) |
N3 | 0.0386 (10) | 0.0576 (13) | 0.0650 (14) | −0.0094 (9) | −0.0029 (10) | −0.0177 (11) |
O1 | 0.0401 (8) | 0.0340 (8) | 0.0559 (9) | 0.0054 (6) | −0.0072 (7) | −0.0200 (7) |
O2 | 0.0448 (8) | 0.0244 (7) | 0.0565 (9) | 0.0014 (6) | −0.0143 (7) | −0.0178 (6) |
O3 | 0.0419 (8) | 0.0269 (7) | 0.0637 (10) | −0.0073 (6) | 0.0041 (7) | −0.0158 (7) |
O4 | 0.0432 (9) | 0.0247 (7) | 0.0632 (10) | −0.0034 (6) | 0.0036 (7) | −0.0149 (7) |
O5 | 0.0439 (9) | 0.0443 (9) | 0.0443 (9) | −0.0018 (7) | −0.0039 (7) | −0.0146 (7) |
O6 | 0.0381 (8) | 0.0273 (7) | 0.0849 (13) | −0.0017 (6) | 0.0068 (8) | −0.0231 (8) |
O7 | 0.0412 (9) | 0.0321 (8) | 0.0847 (13) | −0.0081 (7) | 0.0120 (9) | −0.0261 (8) |
O8 | 0.0555 (11) | 0.0564 (12) | 0.0803 (14) | 0.0020 (9) | −0.0219 (10) | −0.0232 (10) |
O9 | 0.0477 (10) | 0.0446 (10) | 0.0730 (13) | −0.0039 (8) | −0.0147 (9) | −0.0220 (9) |
O10 | 0.0790 (16) | 0.0434 (11) | 0.148 (3) | −0.0024 (11) | −0.0596 (17) | −0.0184 (13) |
Geometric parameters (Å, º) top
Mn1—O3 | 2.1470 (18) | C13—C14 | 1.372 (4) |
Mn1—O7 | 2.153 (2) | C13—H13A | 0.9300 |
Mn1—O6 | 2.1601 (17) | C14—C15 | 1.373 (4) |
Mn1—O5 | 2.200 (2) | C14—H14A | 0.9300 |
Mn1—N1 | 2.282 (3) | C15—C16 | 1.377 (4) |
Mn1—N2 | 2.2874 (19) | C15—H15A | 0.9300 |
S1—C5 | 1.716 (2) | C16—N2 | 1.336 (3) |
S1—C2 | 1.717 (2) | C16—H16A | 0.9300 |
C1—O1 | 1.256 (3) | C17—N3 | 1.323 (4) |
C1—O2 | 1.258 (3) | C17—C18 | 1.378 (4) |
C1—C2 | 1.493 (3) | C17—H17A | 0.9300 |
C2—C3 | 1.368 (3) | C18—C19 | 1.384 (3) |
C3—C4 | 1.415 (3) | C18—H18A | 0.9300 |
C3—H3A | 0.9300 | C19—C20 | 1.386 (3) |
C4—C5 | 1.366 (3) | C19—C19i | 1.489 (4) |
C4—H4A | 0.9300 | C20—C21 | 1.381 (4) |
C5—C6 | 1.493 (3) | C20—H20A | 0.9300 |
C6—O4 | 1.256 (3) | C21—N3 | 1.327 (4) |
C6—O3 | 1.263 (3) | C21—H21A | 0.9300 |
C7—N1 | 1.340 (3) | O5—H5B | 0.8498 |
C7—C8 | 1.378 (4) | O5—H5C | 0.8765 |
C7—H7A | 0.9300 | O6—H6B | 0.8484 |
C8—C9 | 1.368 (5) | O6—H6C | 0.8519 |
C8—H8A | 0.9300 | O7—H7B | 0.8499 |
C9—C10 | 1.389 (4) | O7—H7C | 0.8499 |
C9—H9A | 0.9300 | O8—H8B | 0.8500 |
C10—C11 | 1.385 (4) | O8—H8C | 0.8500 |
C10—H10A | 0.9300 | O9—H9B | 0.8500 |
C11—N1 | 1.344 (3) | O9—H9C | 0.8500 |
C11—C12 | 1.489 (3) | O10—H10B | 0.8499 |
C12—N2 | 1.346 (3) | O10—H10C | 0.8500 |
C12—C13 | 1.389 (3) | | |
| | | |
O3—Mn1—O7 | 174.49 (6) | N2—C12—C11 | 116.52 (19) |
O3—Mn1—O6 | 90.01 (7) | C13—C12—C11 | 121.9 (2) |
O7—Mn1—O6 | 85.05 (7) | C14—C13—C12 | 119.0 (2) |
O3—Mn1—O5 | 88.97 (7) | C14—C13—H13A | 120.5 |
O7—Mn1—O5 | 89.43 (8) | C12—C13—H13A | 120.5 |
O6—Mn1—O5 | 99.35 (8) | C13—C14—C15 | 119.9 (2) |
O3—Mn1—N1 | 92.15 (7) | C13—C14—H14A | 120.1 |
O7—Mn1—N1 | 90.73 (8) | C15—C14—H14A | 120.1 |
O6—Mn1—N1 | 95.17 (8) | C14—C15—C16 | 117.8 (3) |
O5—Mn1—N1 | 165.44 (7) | C14—C15—H15A | 121.1 |
O3—Mn1—N2 | 100.38 (7) | C16—C15—H15A | 121.1 |
O7—Mn1—N2 | 84.98 (7) | N2—C16—C15 | 123.6 (2) |
O6—Mn1—N2 | 163.57 (7) | N2—C16—H16A | 118.2 |
O5—Mn1—N2 | 93.58 (7) | C15—C16—H16A | 118.2 |
N1—Mn1—N2 | 71.94 (7) | N3—C17—C18 | 124.5 (3) |
C5—S1—C2 | 91.91 (10) | N3—C17—H17A | 117.8 |
O1—C1—O2 | 125.40 (18) | C18—C17—H17A | 117.8 |
O1—C1—C2 | 116.78 (18) | C17—C18—C19 | 119.6 (2) |
O2—C1—C2 | 117.80 (18) | C17—C18—H18A | 120.2 |
C3—C2—C1 | 128.89 (18) | C19—C18—H18A | 120.2 |
C3—C2—S1 | 111.21 (15) | C18—C19—C20 | 116.2 (2) |
C1—C2—S1 | 119.90 (16) | C18—C19—C19i | 122.1 (3) |
C2—C3—C4 | 112.83 (18) | C20—C19—C19i | 121.7 (2) |
C2—C3—H3A | 123.6 | C21—C20—C19 | 119.9 (2) |
C4—C3—H3A | 123.6 | C21—C20—H20A | 120.1 |
C5—C4—C3 | 112.49 (19) | C19—C20—H20A | 120.1 |
C5—C4—H4A | 123.8 | N3—C21—C20 | 123.9 (3) |
C3—C4—H4A | 123.8 | N3—C21—H21A | 118.1 |
C4—C5—C6 | 127.91 (18) | C20—C21—H21A | 118.1 |
C4—C5—S1 | 111.56 (15) | C7—N1—C11 | 118.3 (2) |
C6—C5—S1 | 120.53 (16) | C7—N1—Mn1 | 123.64 (17) |
O4—C6—O3 | 125.27 (18) | C11—N1—Mn1 | 117.35 (15) |
O4—C6—C5 | 117.59 (18) | C16—N2—C12 | 117.9 (2) |
O3—C6—C5 | 117.11 (18) | C16—N2—Mn1 | 124.60 (16) |
N1—C7—C8 | 123.2 (3) | C12—N2—Mn1 | 117.14 (14) |
N1—C7—H7A | 118.4 | C17—N3—C21 | 116.0 (2) |
C8—C7—H7A | 118.4 | C6—O3—Mn1 | 129.93 (14) |
C9—C8—C7 | 118.5 (3) | Mn1—O5—H5B | 118.1 |
C9—C8—H8A | 120.8 | Mn1—O5—H5C | 109.4 |
C7—C8—H8A | 120.8 | H5B—O5—H5C | 112.2 |
C8—C9—C10 | 119.2 (3) | Mn1—O6—H6B | 108.1 |
C8—C9—H9A | 120.4 | Mn1—O6—H6C | 130.8 |
C10—C9—H9A | 120.4 | H6B—O6—H6C | 109.1 |
C11—C10—C9 | 119.2 (3) | Mn1—O7—H7B | 119.2 |
C11—C10—H10A | 120.4 | Mn1—O7—H7C | 127.0 |
C9—C10—H10A | 120.4 | H7B—O7—H7C | 107.6 |
N1—C11—C10 | 121.5 (2) | H8B—O8—H8C | 104.1 |
N1—C11—C12 | 116.1 (2) | H9B—O9—H9C | 110.6 |
C10—C11—C12 | 122.4 (2) | H10B—O10—H10C | 103.4 |
N2—C12—C13 | 121.6 (2) | | |
Symmetry code: (i) −x+2, −y+1, −z. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O5—H5B···O4ii | 0.85 | 1.84 | 2.679 (3) | 170 |
O5—H5C···O10iii | 0.88 | 1.89 | 2.725 (3) | 158 |
O6—H6B···O4 | 0.85 | 1.92 | 2.676 (3) | 148 |
O6—H6C···O2iv | 0.85 | 1.86 | 2.699 (3) | 170 |
O7—H7B···N3 | 0.85 | 1.95 | 2.778 (3) | 166 |
O7—H7C···O1iv | 0.85 | 1.80 | 2.651 (3) | 176 |
O8—H8B···O1iv | 0.85 | 1.96 | 2.810 (3) | 176 |
O8—H8C···O9iii | 0.85 | 2.07 | 2.900 (3) | 167 |
O9—H9B···O2ii | 0.85 | 1.96 | 2.810 (3) | 176 |
O9—H9C···O8 | 0.85 | 1.94 | 2.775 (3) | 169 |
O10—H10B···O5iv | 0.85 | 2.08 | 2.872 (3) | 154 |
O10—H10C···O9 | 0.85 | 1.95 | 2.740 (3) | 155 |
Symmetry codes: (ii) −x, −y, −z+1; (iii) −x+1, −y+1, −z+1; (iv) x, y+1, z. |
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