Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536801020657/ci6083sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536801020657/ci6083Isup2.hkl |
CCDC reference: 180516
Tetraaquabis(o-sulfobenzimidate)copper(II) dihydrate was synthesized from the reaction of copper(II) nitrate and sodium o-sulfobenzimidate in water in high yield (Naumov & Jovanovski, 2001). A small quantity of the compound (ca 0.05 g) was dissolved in warm ethanol (50 ml). An amount of 2,4'-bipyridine corresponding to twice the amount of the copper compound was dissolved in dichloromethane (5 ml) and the solution was laid over 10 ml portions of a filtered solution of the copper reagent. Individual attempts invariably resulted in small amount of wing-shaped crystals that were mixed with regularly shaped crystals. Both types gave the same element analyses. The diffraction measurements were carried out on a regularly shaped specimen. Elemental CHN analysis (calculated/found): C 53.85/53.77, H 3.46/3.27, N 11.08/10.86%.
Of the 4029 reflections, 2139 were Friedel pairs. The water H atom was located and refined. The other H atoms were generated geometrically, U(H) = 1.2Ueq(C). The elemental CHN analysis confirmed the composition, eliminating the possibility of residual solvent molecules in the solvent- accessible voids. The somewhat larger ADP max/min ratio for C4 and C14 is an artifact of the quality of the crystallographic data.
Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; 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.
[Cu(C7H4NO3S)2(C10H8N2)2(H2O)] | F(000) = 778 |
Mr = 758.27 | Dx = 1.429 Mg m−3 |
Monoclinic, C2 | Mo Kα radiation, λ = 0.71073 Å |
a = 12.5758 (3) Å | Cell parameters from 5360 reflections |
b = 12.2526 (2) Å | θ = 1.8–27.6° |
c = 11.6563 (3) Å | µ = 0.79 mm−1 |
β = 101.140 (1)° | T = 95 K |
V = 1762.23 (7) Å3 | Plate, blue |
Z = 2 | 0.18 × 0.18 × 0.04 mm |
Siemens CCD area-detector diffractometer | 4029 independent reflections |
Radiation source: fine-focus sealed tube | 3056 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.094 |
ω scans | θmax = 27.6°, θmin = 1.8° |
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 1996) | h = −16→16 |
Tmin = 0.870, Tmax = 0.969 | k = −15→15 |
8924 measured reflections | l = −14→15 |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.048 | H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.104 | w = 1/[σ2(Fo2) + (0.0197P)2] where P = (Fo2 + 2Fc2)/3 |
S = 0.95 | (Δ/σ)max < 0.001 |
4029 reflections | Δρmax = 0.56 e Å−3 |
231 parameters | Δρmin = −0.94 e Å−3 |
1 restraint | Absolute structure: Flack (1983) |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: 0.34 (2) |
[Cu(C7H4NO3S)2(C10H8N2)2(H2O)] | V = 1762.23 (7) Å3 |
Mr = 758.27 | Z = 2 |
Monoclinic, C2 | Mo Kα radiation |
a = 12.5758 (3) Å | µ = 0.79 mm−1 |
b = 12.2526 (2) Å | T = 95 K |
c = 11.6563 (3) Å | 0.18 × 0.18 × 0.04 mm |
β = 101.140 (1)° |
Siemens CCD area-detector diffractometer | 4029 independent reflections |
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 1996) | 3056 reflections with I > 2σ(I) |
Tmin = 0.870, Tmax = 0.969 | Rint = 0.094 |
8924 measured reflections |
R[F2 > 2σ(F2)] = 0.048 | H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.104 | Δρmax = 0.56 e Å−3 |
S = 0.95 | Δρmin = −0.94 e Å−3 |
4029 reflections | Absolute structure: Flack (1983) |
231 parameters | Absolute structure parameter: 0.34 (2) |
1 restraint |
x | y | z | Uiso*/Ueq | ||
Cu1 | 0.5000 | 0.49995 (5) | 1.0000 | 0.0106 (2) | |
S1 | 0.4303 (1) | 0.42281 (9) | 0.72832 (8) | 0.0157 (2) | |
O1 | 0.4144 (2) | 0.6996 (2) | 0.8457 (3) | 0.026 (1) | |
O2 | 0.3457 (2) | 0.3467 (2) | 0.7389 (3) | 0.025 (1) | |
O3 | 0.5352 (2) | 0.3781 (2) | 0.7242 (3) | 0.024 (1) | |
O1w | 0.5000 | 0.3145 (4) | 1.0000 | 0.016 (1) | |
N1 | 0.4400 (2) | 0.5167 (3) | 0.8292 (3) | 0.011 (1) | |
N2 | 0.3487 (2) | 0.5163 (3) | 1.0340 (3) | 0.012 (1) | |
N3 | −0.0007 (3) | 0.6316 (3) | 1.1525 (3) | 0.017 (1) | |
C1 | 0.4119 (3) | 0.6175 (4) | 0.7843 (4) | 0.016 (1) | |
C2 | 0.3798 (3) | 0.6156 (4) | 0.6535 (4) | 0.020 (1) | |
C3 | 0.3442 (4) | 0.7023 (4) | 0.5793 (4) | 0.036 (1) | |
C4 | 0.3170 (4) | 0.6765 (6) | 0.4582 (5) | 0.053 (2) | |
C5 | 0.3261 (4) | 0.5736 (6) | 0.4176 (5) | 0.047 (2) | |
C6 | 0.3612 (3) | 0.4866 (6) | 0.4919 (4) | 0.035 (1) | |
C7 | 0.3866 (3) | 0.5119 (4) | 0.6102 (3) | 0.020 (1) | |
C8 | 0.2839 (3) | 0.4295 (4) | 1.0293 (3) | 0.018 (1) | |
C9 | 0.1850 (3) | 0.4331 (4) | 1.0660 (4) | 0.018 (1) | |
C10 | 0.1511 (3) | 0.5297 (3) | 1.1088 (3) | 0.014 (1) | |
C11 | 0.2171 (3) | 0.6209 (3) | 1.1094 (3) | 0.013 (1) | |
C12 | 0.3151 (3) | 0.6114 (3) | 1.0726 (3) | 0.013 (1) | |
C13 | 0.0498 (3) | 0.5343 (3) | 1.1563 (4) | 0.015 (1) | |
C14 | 0.0112 (3) | 0.4409 (4) | 1.2032 (4) | 0.025 (1) | |
C15 | −0.0815 (4) | 0.4476 (4) | 1.2499 (5) | 0.034 (1) | |
C16 | −0.1336 (4) | 0.5477 (4) | 1.2466 (5) | 0.036 (1) | |
C17 | −0.0920 (3) | 0.6361 (4) | 1.1967 (4) | 0.025 (1) | |
H1w | 0.508 (4) | 0.276 (4) | 1.056 (4) | 0.02 (1)* | |
H3 | 0.3384 | 0.7743 | 0.6077 | 0.043* | |
H4 | 0.2916 | 0.7330 | 0.4039 | 0.063* | |
H5 | 0.3080 | 0.5606 | 0.3358 | 0.056* | |
H6 | 0.3674 | 0.4146 | 0.4636 | 0.042* | |
H8 | 0.3061 | 0.3627 | 0.9998 | 0.022* | |
H9 | 0.1411 | 0.3696 | 1.0616 | 0.021* | |
H11 | 0.1950 | 0.6895 | 1.1350 | 0.016* | |
H12 | 0.3600 | 0.6741 | 1.0747 | 0.016* | |
H14 | 0.0484 | 0.3734 | 1.2031 | 0.030* | |
H15 | −0.1089 | 0.3854 | 1.2834 | 0.040* | |
H16 | −0.1974 | 0.5553 | 1.2783 | 0.043* | |
H17 | −0.1295 | 0.7036 | 1.1934 | 0.030* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cu1 | 0.0104 (3) | 0.0126 (4) | 0.0091 (4) | 0.000 | 0.0023 (3) | 0.000 |
S1 | 0.0175 (5) | 0.0195 (6) | 0.0105 (5) | 0.0007 (4) | 0.0033 (4) | −0.0016 (5) |
O1 | 0.032 (2) | 0.014 (2) | 0.032 (2) | 0.000 (1) | 0.006 (2) | 0.000 (1) |
O2 | 0.026 (2) | 0.023 (2) | 0.025 (2) | −0.009 (1) | 0.005 (2) | −0.005 (1) |
O3 | 0.022 (2) | 0.030 (2) | 0.021 (2) | 0.009 (1) | 0.007 (1) | −0.001 (1) |
O1w | 0.021 (2) | 0.011 (2) | 0.018 (3) | 0.000 | 0.010 (2) | 0.000 |
N1 | 0.013 (1) | 0.010 (2) | 0.010 (2) | 0.000 (1) | 0.004 (1) | 0.001 (1) |
N2 | 0.011 (1) | 0.013 (2) | 0.013 (2) | −0.001 (1) | 0.002 (1) | 0.001 (1) |
N3 | 0.014 (2) | 0.016 (2) | 0.022 (2) | 0.003 (1) | 0.006 (2) | 0.002 (2) |
C1 | 0.011 (2) | 0.015 (2) | 0.024 (2) | −0.001 (2) | 0.008 (2) | 0.002 (2) |
C2 | 0.014 (2) | 0.029 (3) | 0.017 (2) | 0.003 (2) | 0.003 (2) | 0.011 (2) |
C3 | 0.032 (3) | 0.039 (3) | 0.036 (3) | 0.006 (2) | 0.005 (2) | 0.024 (3) |
C4 | 0.038 (3) | 0.081 (5) | 0.039 (3) | 0.006 (3) | 0.006 (3) | 0.044 (4) |
C5 | 0.041 (3) | 0.084 (5) | 0.014 (3) | 0.006 (3) | 0.002 (2) | 0.017 (3) |
C6 | 0.028 (2) | 0.062 (4) | 0.015 (2) | 0.003 (3) | 0.004 (2) | 0.000 (3) |
C7 | 0.014 (2) | 0.033 (3) | 0.013 (2) | 0.001 (2) | 0.005 (2) | 0.010 (2) |
C8 | 0.016 (2) | 0.018 (2) | 0.022 (2) | −0.004 (2) | 0.008 (2) | −0.008 (2) |
C9 | 0.016 (2) | 0.014 (2) | 0.026 (2) | −0.005 (2) | 0.009 (2) | −0.003 (2) |
C10 | 0.012 (2) | 0.017 (2) | 0.012 (2) | 0.001 (2) | 0.003 (2) | 0.004 (2) |
C11 | 0.016 (2) | 0.010 (2) | 0.013 (2) | 0.001 (2) | 0.001 (2) | 0.004 (2) |
C12 | 0.012 (2) | 0.014 (2) | 0.013 (2) | −0.003 (2) | 0.001 (2) | −0.002 (2) |
C13 | 0.012 (2) | 0.019 (2) | 0.015 (2) | 0.002 (2) | 0.003 (2) | 0.001 (2) |
C14 | 0.022 (2) | 0.016 (2) | 0.040 (3) | 0.004 (2) | 0.016 (2) | 0.007 (2) |
C15 | 0.032 (3) | 0.023 (3) | 0.056 (3) | 0.002 (2) | 0.033 (3) | 0.011 (2) |
C16 | 0.021 (2) | 0.031 (3) | 0.064 (4) | 0.000 (2) | 0.030 (3) | 0.004 (3) |
C17 | 0.017 (2) | 0.021 (3) | 0.040 (3) | 0.005 (2) | 0.013 (2) | 0.003 (2) |
Cu1—N1 | 1.999 (3) | C8—C9 | 1.392 (5) |
Cu1—N1i | 1.999 (3) | C9—C10 | 1.384 (6) |
Cu1—N2 | 2.027 (3) | C10—C11 | 1.392 (5) |
Cu1—N2i | 2.027 (3) | C10—C13 | 1.485 (5) |
Cu1—O1w | 2.272 (4) | C11—C12 | 1.386 (5) |
S1—O3 | 1.437 (3) | C13—C14 | 1.395 (6) |
S1—O2 | 1.438 (3) | C14—C15 | 1.382 (6) |
S1—N1 | 1.633 (3) | C15—C16 | 1.388 (6) |
S1—C7 | 1.760 (4) | C16—C17 | 1.379 (6) |
O1—C1 | 1.232 (5) | O1w—H1w | 0.79 (4) |
N1—C1 | 1.361 (5) | C3—H3 | 0.9500 |
N2—C8 | 1.335 (5) | C4—H4 | 0.9500 |
N2—C12 | 1.347 (5) | C5—H5 | 0.9500 |
N3—C17 | 1.347 (5) | C6—H6 | 0.9500 |
N3—C13 | 1.347 (5) | C8—H8 | 0.9500 |
C1—C2 | 1.500 (6) | C9—H9 | 0.9500 |
C2—C7 | 1.375 (7) | C11—H11 | 0.9500 |
C2—C3 | 1.388 (6) | C12—H12 | 0.9500 |
C3—C4 | 1.423 (8) | C14—H14 | 0.9500 |
C4—C5 | 1.359 (8) | C15—H15 | 0.9500 |
C5—C6 | 1.390 (8) | C16—H16 | 0.9500 |
C6—C7 | 1.389 (6) | C17—H17 | 0.9500 |
N1—Cu1—N1i | 168.2 (2) | C11—C10—C9 | 117.7 (4) |
N1—Cu1—N2 | 89.8 (1) | C11—C10—C13 | 121.4 (4) |
N1—Cu1—N2i | 89.0 (1) | C9—C10—C13 | 120.9 (3) |
N1—Cu1—O1w | 95.9 (1) | C12—C11—C10 | 119.7 (4) |
N1i—Cu1—N2 | 89.0 (1) | N2—C12—C11 | 122.1 (4) |
N1i—Cu1—N2i | 89.8 (1) | N3—C13—C14 | 122.8 (4) |
N1i—Cu1—O1w | 95.9 (1) | N3—C13—C10 | 117.0 (4) |
N2—Cu1—N2i | 168.6 (2) | C14—C13—C10 | 120.2 (3) |
N2—Cu1—O1w | 95.7 (1) | C15—C14—C13 | 119.3 (4) |
N2i—Cu1—O1w | 95.7 (1) | C14—C15—C16 | 118.1 (4) |
O3—S1—O2 | 117.0 (2) | C17—C16—C15 | 119.3 (4) |
O3—S1—N1 | 110.6 (2) | N3—C17—C16 | 123.4 (4) |
O2—S1—N1 | 110.4 (2) | Cu1—O1w—H1w | 127 (3) |
O3—S1—C7 | 111.1 (2) | C2—C3—H3 | 122.1 |
O2—S1—C7 | 110.2 (2) | C4—C3—H3 | 122.1 |
N1—S1—C7 | 95.4 (2) | C5—C4—H4 | 119.0 |
C1—N1—S1 | 112.7 (3) | C3—C4—H4 | 119.0 |
C1—N1—Cu1 | 119.7 (3) | C4—C5—H5 | 118.9 |
S1—N1—Cu1 | 127.3 (2) | C6—C5—H5 | 118.9 |
C8—N2—C12 | 118.3 (3) | C7—C6—H6 | 122.2 |
C8—N2—Cu1 | 120.1 (3) | C5—C6—H6 | 122.2 |
C12—N2—Cu1 | 121.2 (3) | N2—C8—H8 | 118.8 |
C17—N3—C13 | 117.1 (4) | C9—C8—H8 | 118.8 |
O1—C1—N1 | 122.9 (4) | C8—C9—H9 | 120.2 |
O1—C1—C2 | 125.1 (4) | C10—C9—H9 | 120.2 |
N1—C1—C2 | 112.0 (4) | C12—C11—H11 | 120.1 |
C7—C2—C3 | 120.9 (4) | C10—C11—H11 | 120.1 |
C7—C2—C1 | 111.4 (4) | N2—C12—H12 | 118.9 |
C3—C2—C1 | 127.7 (5) | C11—C12—H12 | 118.9 |
C2—C3—C4 | 115.8 (5) | C15—C14—H14 | 120.3 |
C5—C4—C3 | 122.0 (5) | C13—C14—H14 | 120.3 |
C4—C5—C6 | 122.2 (5) | C14—C15—H15 | 120.9 |
C7—C6—C5 | 115.6 (6) | C16—C15—H15 | 120.9 |
C2—C7—C6 | 123.5 (5) | C17—C16—H16 | 120.3 |
C2—C7—S1 | 108.5 (3) | C15—C16—H16 | 120.3 |
C6—C7—S1 | 128.0 (5) | N3—C17—H17 | 118.3 |
N2—C8—C9 | 122.5 (4) | C16—C17—H17 | 118.3 |
C8—C9—C10 | 119.6 (4) | ||
O3—S1—N1—C1 | 115.4 (3) | C3—C2—C7—C6 | 1.4 (7) |
O2—S1—N1—C1 | −113.5 (3) | C1—C2—C7—C6 | 179.8 (4) |
C7—S1—N1—C1 | 0.4 (3) | C3—C2—C7—S1 | −178.2 (4) |
O3—S1—N1—Cu1 | −58.3 (3) | C1—C2—C7—S1 | 0.2 (4) |
O2—S1—N1—Cu1 | 72.8 (2) | C5—C6—C7—C2 | −1.0 (7) |
C7—S1—N1—Cu1 | −173.3 (2) | C5—C6—C7—S1 | 178.6 (4) |
N1i—Cu1—N1—C1 | −7.5 (3) | O3—S1—C7—C2 | −114.9 (3) |
N2—Cu1—N1—C1 | 76.8 (3) | O2—S1—C7—C2 | 113.8 (3) |
N2i—Cu1—N1—C1 | −91.9 (3) | N1—S1—C7—C2 | −0.3 (3) |
O1w—Cu1—N1—C1 | 172.5 (3) | O3—S1—C7—C6 | 65.6 (4) |
N1i—Cu1—N1—S1 | 165.8 (2) | O2—S1—C7—C6 | −65.8 (4) |
N2—Cu1—N1—S1 | −109.8 (2) | N1—S1—C7—C6 | −179.9 (4) |
N2i—Cu1—N1—S1 | 81.5 (2) | C12—N2—C8—C9 | −2.0 (6) |
O1w—Cu1—N1—S1 | −14.2 (2) | Cu1—N2—C8—C9 | 171.6 (3) |
N1—Cu1—N2—C8 | 85.6 (3) | N2—C8—C9—C10 | 0.2 (6) |
N1i—Cu1—N2—C8 | −106.2 (3) | C8—C9—C10—C11 | 2.1 (6) |
N2i—Cu1—N2—C8 | 169.6 (3) | C8—C9—C10—C13 | −175.7 (4) |
O1w—Cu1—N2—C8 | −10.4 (3) | C9—C10—C11—C12 | −2.8 (6) |
N1—Cu1—N2—C12 | −101.0 (3) | C13—C10—C11—C12 | 175.1 (3) |
N1i—Cu1—N2—C12 | 67.2 (3) | C8—N2—C12—C11 | 1.3 (5) |
N2i—Cu1—N2—C12 | −16.9 (3) | Cu1—N2—C12—C11 | −172.2 (3) |
O1w—Cu1—N2—C12 | 163.1 (3) | C10—C11—C12—N2 | 1.1 (6) |
S1—N1—C1—O1 | −179.5 (3) | C17—N3—C13—C14 | 0.0 (6) |
Cu1—N1—C1—O1 | −5.2 (5) | C17—N3—C13—C10 | −179.3 (3) |
S1—N1—C1—C2 | −0.3 (4) | C11—C10—C13—N3 | 28.0 (5) |
Cu1—N1—C1—C2 | 173.9 (2) | C9—C10—C13—N3 | −154.2 (4) |
O1—C1—C2—C7 | 179.2 (4) | C11—C10—C13—C14 | −151.3 (4) |
N1—C1—C2—C7 | 0.1 (5) | C9—C10—C13—C14 | 26.5 (6) |
O1—C1—C2—C3 | −2.6 (7) | N3—C13—C14—C15 | −1.1 (7) |
N1—C1—C2—C3 | 178.4 (4) | C10—C13—C14—C15 | 178.2 (4) |
C7—C2—C3—C4 | −0.6 (7) | C13—C14—C15—C16 | 0.9 (7) |
C1—C2—C3—C4 | −178.7 (4) | C14—C15—C16—C17 | 0.4 (8) |
C2—C3—C4—C5 | −0.5 (8) | C13—N3—C17—C16 | 1.3 (7) |
C3—C4—C5—C6 | 0.9 (9) | C15—C16—C17—N3 | −1.5 (8) |
C4—C5—C6—C7 | −0.2 (8) |
Symmetry code: (i) −x+1, y, −z+2. |
D—H···A | D—H | H···A | D···A | D—H···A |
O1w—H1w···N3ii | 0.79 (4) | 2.11 (4) | 2.862 (5) | 158 (4) |
Symmetry code: (ii) x+1/2, y−1/2, z. |
Experimental details
Crystal data | |
Chemical formula | [Cu(C7H4NO3S)2(C10H8N2)2(H2O)] |
Mr | 758.27 |
Crystal system, space group | Monoclinic, C2 |
Temperature (K) | 95 |
a, b, c (Å) | 12.5758 (3), 12.2526 (2), 11.6563 (3) |
β (°) | 101.140 (1) |
V (Å3) | 1762.23 (7) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 0.79 |
Crystal size (mm) | 0.18 × 0.18 × 0.04 |
Data collection | |
Diffractometer | Siemens CCD area-detector diffractometer |
Absorption correction | Empirical (using intensity measurements) (SADABS; Sheldrick, 1996) |
Tmin, Tmax | 0.870, 0.969 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 8924, 4029, 3056 |
Rint | 0.094 |
(sin θ/λ)max (Å−1) | 0.651 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.048, 0.104, 0.95 |
No. of reflections | 4029 |
No. of parameters | 231 |
No. of restraints | 1 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.56, −0.94 |
Absolute structure | Flack (1983) |
Absolute structure parameter | 0.34 (2) |
Computer programs: SMART (Siemens, 1996), SAINT (Siemens, 1996), SAINT, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), ORTEPII (Johnson, 1976), SHELXL97.
Cu1—N1 | 1.999 (3) | Cu1—O1w | 2.272 (4) |
Cu1—N2 | 2.027 (3) | ||
N1—Cu1—N1i | 168.2 (2) | N1—Cu1—O1w | 95.9 (1) |
N1—Cu1—N2 | 89.8 (1) | N2—Cu1—N2i | 168.6 (2) |
N1—Cu1—N2i | 89.0 (1) | N2—Cu1—O1w | 95.7 (1) |
Symmetry code: (i) −x+1, y, −z+2. |
The deprotonated anion of saccharin (o-sulfobenzimide) binds to a plethora of metal cations to form compounds whose structures can be conveniently probed by infrared spectroscopy (Naumov & Jovanovski, 2000, 2001). The compounds are coordinately unsaturated; among these, the copper(II) derivative has been well documented to form adducts, particularly with N-heterocycles (Naumov, Jovanovski, Drew & Ng, 2001; Naumov, Jovanovski, Ristova et al., 2001). On the other hand, one N-heterocycle that has not been used for binding is the 4,4'-bipyridine ligand; in our hands, the spacer ligand afforded a structure displaying a rhombic grid that encapsulates a dichloromethane molecule (Naumov, Jovanovski, Hanna et al., 2001). We then extended this study to the 2,4'-bipyridine analog, which should adopt a helical conformation if a similar metal–ligand bonding is retained as we noted in other systems; the 4,4'-isomer yields layer motifs whereas the 2,4'-isomer is able to furnish chains (Fun et al., 1999).
Coordination through the 2-N atom is not favored in the title compound, (I), and the ligand coordinates instead only through the 4-N atom (Fig. 1). The fifth coordinate site of the square-pyramidal geometry with trans-oriented pairs of N-saccharinate and bipyridine ligands is taken up by a coordinated water molecule.