Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807057406/hk2372sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807057406/hk2372Isup2.hkl |
CCDC reference: 291173
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.009 Å
- R factor = 0.034
- wR factor = 0.094
- Data-to-parameter ratio = 13.6
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.16 Ratio PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 9
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 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 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
For general background, see: Gielen et al. (1988). For related literature, see: Ng (1999). For bond-length data, see: Allen et al. (1987).
For the preparation of the title compound, a mixture of diphenyltin dichloride (688 mg, 2.0 mmol), 2,6-pyridinedicarboxylic acid (334 mg, 2.0 mmol) and sodium ethoxide (272 mg, 4.0 mmol) in methanol with water (80 ml) was heated under reflux for 14 h at 303 K. The resulting clear solution was evaporated under vacuum and the product recrystallized from a mixture of dichloromethane-hexane (1:1) to yield colorless, block-like crystals of (I) (yield; 777 mg, 76%, m.p. 445 K). Analysis; calculated for C38H30N2O10Sn2: C 50.04, H, 3.32; N 3.07%; found: C 50.12, H 3.46, N, 3.01%.
H atoms (for H2O) wer located in difference syntheses and constrained to ride on their parent atom [O—H = 0.8347 and 0.9480 Å and Uiso(H) = 1.2Ueq(O)]. The remaining H atoms were positioned geometrically, with C—H = 0.93 Å, for aromatic H atoms and constrained to ride on their parent atoms, with Uiso(H) = 1.2Ueq(C).
Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL (Bruker, 1998).
[Sn(C6H5)2(C7H3NO4)(H2O)] | F(000) = 904 |
Mr = 456.03 | Dx = 1.664 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 4957 reflections |
a = 9.779 (2) Å | θ = 2.3–28.2° |
b = 9.807 (2) Å | µ = 1.43 mm−1 |
c = 19.334 (4) Å | T = 298 K |
β = 100.915 (3)° | Block, colorless |
V = 1820.6 (6) Å3 | 0.48 × 0.45 × 0.44 mm |
Z = 4 |
Bruker SMART CCD area-detector diffractometer | 3206 independent reflections |
Radiation source: fine-focus sealed tube | 2651 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.031 |
ϕ and ω scans | θmax = 25.0°, θmin = 2.2° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −11→11 |
Tmin = 0.509, Tmax = 0.533 | k = −11→11 |
9237 measured reflections | l = −12→22 |
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)] = 0.034 | H-atom parameters constrained |
wR(F2) = 0.094 | w = 1/[σ2(Fo2) + (0.0453P)2 + 4.0544P] where P = (Fo2 + 2Fc2)/3 |
S = 1.03 | (Δ/σ)max = 0.001 |
3206 reflections | Δρmax = 0.72 e Å−3 |
235 parameters | Δρmin = −1.33 e Å−3 |
Primary atom site location: structure-invariant direct methods |
[Sn(C6H5)2(C7H3NO4)(H2O)] | V = 1820.6 (6) Å3 |
Mr = 456.03 | Z = 4 |
Monoclinic, P21/c | Mo Kα radiation |
a = 9.779 (2) Å | µ = 1.43 mm−1 |
b = 9.807 (2) Å | T = 298 K |
c = 19.334 (4) Å | 0.48 × 0.45 × 0.44 mm |
β = 100.915 (3)° |
Bruker SMART CCD area-detector diffractometer | 3206 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 2651 reflections with I > 2σ(I) |
Tmin = 0.509, Tmax = 0.533 | Rint = 0.031 |
9237 measured reflections |
R[F2 > 2σ(F2)] = 0.034 | 235 parameters |
wR(F2) = 0.094 | H-atom parameters constrained |
S = 1.03 | Δρmax = 0.72 e Å−3 |
3206 reflections | Δρmin = −1.33 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 | ||
Sn1 | 0.52733 (3) | 0.67363 (3) | 0.156159 (16) | 0.02997 (14) | |
O1 | 0.5801 (4) | 0.6306 (3) | 0.05146 (18) | 0.0376 (8) | |
O2 | 0.6472 (4) | 0.7069 (4) | −0.04578 (19) | 0.0458 (9) | |
O3 | 0.5119 (4) | 0.8781 (3) | 0.22701 (18) | 0.0392 (8) | |
O4 | 0.5509 (4) | 1.1034 (3) | 0.23984 (18) | 0.0399 (9) | |
O5 | 0.5175 (4) | 0.4439 (3) | 0.14243 (18) | 0.0398 (9) | |
H1 | 0.4618 | 0.4086 | 0.1092 | 0.048* | |
H2 | 0.5031 | 0.4064 | 0.1857 | 0.048* | |
N1 | 0.5961 (4) | 0.8744 (4) | 0.10674 (19) | 0.0275 (8) | |
C1 | 0.6218 (5) | 0.7222 (5) | 0.0138 (3) | 0.0336 (11) | |
C2 | 0.6398 (5) | 0.8629 (5) | 0.0454 (2) | 0.0290 (10) | |
C3 | 0.6923 (5) | 0.9729 (5) | 0.0147 (3) | 0.0383 (12) | |
H3 | 0.7229 | 0.9635 | −0.0277 | 0.046* | |
C4 | 0.6983 (6) | 1.0963 (6) | 0.0480 (3) | 0.0427 (13) | |
H4 | 0.7351 | 1.1715 | 0.0286 | 0.051* | |
C5 | 0.6502 (5) | 1.1100 (5) | 0.1103 (3) | 0.0375 (12) | |
H5 | 0.6512 | 1.1943 | 0.1324 | 0.045* | |
C6 | 0.6004 (5) | 0.9949 (4) | 0.1391 (2) | 0.0288 (10) | |
C7 | 0.5501 (5) | 0.9926 (5) | 0.2079 (2) | 0.0317 (11) | |
C8 | 0.7311 (6) | 0.6460 (6) | 0.2137 (4) | 0.0541 (13) | |
C9 | 0.8249 (7) | 0.5751 (8) | 0.1817 (4) | 0.0738 (15) | |
H9 | 0.7960 | 0.5409 | 0.1364 | 0.089* | |
C10 | 0.9632 (8) | 0.5539 (9) | 0.2166 (5) | 0.0842 (16) | |
H10 | 1.0270 | 0.5071 | 0.1954 | 0.101* | |
C11 | 0.9987 (9) | 0.6058 (10) | 0.2832 (5) | 0.0907 (18) | |
H11 | 1.0907 | 0.5963 | 0.3062 | 0.109* | |
C12 | 0.9095 (9) | 0.6702 (8) | 0.3182 (5) | 0.0861 (17) | |
H12 | 0.9382 | 0.6996 | 0.3644 | 0.103* | |
C13 | 0.7720 (8) | 0.6909 (7) | 0.2821 (4) | 0.0730 (15) | |
H13 | 0.7084 | 0.7352 | 0.3045 | 0.088* | |
C14 | 0.3134 (6) | 0.6972 (6) | 0.1108 (3) | 0.0444 (11) | |
C15 | 0.2267 (7) | 0.7880 (7) | 0.1361 (4) | 0.0599 (13) | |
H15 | 0.2600 | 0.8396 | 0.1761 | 0.072* | |
C16 | 0.0885 (7) | 0.8016 (8) | 0.1012 (4) | 0.0685 (14) | |
H16 | 0.0311 | 0.8647 | 0.1175 | 0.082* | |
C17 | 0.0364 (7) | 0.7242 (8) | 0.0437 (4) | 0.0668 (15) | |
H17 | −0.0560 | 0.7338 | 0.0213 | 0.080* | |
C18 | 0.1205 (7) | 0.6325 (7) | 0.0192 (4) | 0.0591 (13) | |
H18 | 0.0851 | 0.5787 | −0.0197 | 0.071* | |
C19 | 0.2583 (6) | 0.6191 (6) | 0.0519 (3) | 0.0517 (12) | |
H19 | 0.3150 | 0.5570 | 0.0344 | 0.062* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.0422 (2) | 0.0238 (2) | 0.0241 (2) | −0.00080 (14) | 0.00672 (14) | −0.00005 (13) |
O1 | 0.059 (2) | 0.0259 (17) | 0.0308 (19) | −0.0052 (16) | 0.0157 (17) | −0.0059 (15) |
O2 | 0.066 (3) | 0.044 (2) | 0.031 (2) | −0.0080 (18) | 0.0198 (18) | −0.0076 (17) |
O3 | 0.068 (2) | 0.0231 (17) | 0.0297 (18) | −0.0052 (16) | 0.0177 (17) | −0.0014 (15) |
O4 | 0.066 (2) | 0.0250 (18) | 0.0322 (19) | −0.0047 (16) | 0.0177 (17) | −0.0055 (15) |
O5 | 0.065 (2) | 0.0246 (18) | 0.0302 (19) | −0.0053 (16) | 0.0104 (17) | −0.0008 (14) |
N1 | 0.036 (2) | 0.025 (2) | 0.021 (2) | −0.0011 (16) | 0.0051 (16) | −0.0031 (16) |
C1 | 0.040 (3) | 0.033 (3) | 0.028 (3) | −0.001 (2) | 0.007 (2) | −0.005 (2) |
C2 | 0.032 (2) | 0.031 (2) | 0.023 (2) | 0.0004 (19) | 0.0036 (19) | 0.0002 (19) |
C3 | 0.048 (3) | 0.038 (3) | 0.031 (3) | −0.001 (2) | 0.014 (2) | 0.004 (2) |
C4 | 0.053 (3) | 0.035 (3) | 0.042 (3) | −0.007 (2) | 0.013 (3) | 0.009 (2) |
C5 | 0.049 (3) | 0.024 (3) | 0.037 (3) | −0.001 (2) | 0.004 (2) | −0.002 (2) |
C6 | 0.037 (3) | 0.021 (2) | 0.026 (2) | 0.0008 (19) | −0.0003 (19) | −0.0002 (19) |
C7 | 0.042 (3) | 0.024 (3) | 0.027 (2) | 0.001 (2) | 0.004 (2) | −0.001 (2) |
C8 | 0.049 (2) | 0.054 (3) | 0.055 (3) | −0.003 (2) | 0.000 (2) | 0.008 (2) |
C9 | 0.062 (3) | 0.083 (3) | 0.072 (3) | 0.005 (3) | 0.002 (3) | 0.009 (3) |
C10 | 0.069 (3) | 0.091 (3) | 0.088 (3) | 0.009 (3) | 0.003 (3) | 0.007 (3) |
C11 | 0.072 (3) | 0.094 (3) | 0.095 (3) | −0.004 (3) | −0.014 (3) | 0.005 (3) |
C12 | 0.083 (3) | 0.084 (3) | 0.079 (3) | −0.004 (3) | −0.018 (3) | −0.002 (3) |
C13 | 0.068 (3) | 0.070 (3) | 0.069 (3) | 0.000 (3) | −0.015 (3) | 0.000 (3) |
C14 | 0.043 (2) | 0.047 (2) | 0.044 (2) | −0.007 (2) | 0.010 (2) | 0.007 (2) |
C15 | 0.053 (3) | 0.064 (3) | 0.063 (3) | 0.000 (2) | 0.010 (2) | −0.004 (2) |
C16 | 0.057 (3) | 0.074 (3) | 0.073 (3) | 0.007 (3) | 0.012 (3) | −0.002 (3) |
C17 | 0.051 (3) | 0.073 (3) | 0.072 (3) | −0.007 (3) | 0.003 (3) | 0.007 (3) |
C18 | 0.056 (3) | 0.057 (3) | 0.059 (3) | −0.012 (2) | −0.002 (2) | 0.007 (2) |
C19 | 0.051 (2) | 0.047 (2) | 0.054 (3) | −0.008 (2) | 0.000 (2) | 0.006 (2) |
Sn1—O1 | 2.222 (3) | C6—C7 | 1.503 (7) |
Sn1—O3 | 2.449 (3) | C8—C13 | 1.380 (10) |
Sn1—O4i | 2.384 (3) | C8—C9 | 1.386 (10) |
Sn1—O5 | 2.268 (3) | C9—C10 | 1.408 (10) |
Sn1—N1 | 2.342 (4) | C9—H9 | 0.9300 |
Sn1—C8 | 2.108 (6) | C10—C11 | 1.367 (12) |
Sn1—C14 | 2.123 (6) | C10—H10 | 0.9300 |
N1—C6 | 1.335 (6) | C11—C12 | 1.357 (13) |
N1—C2 | 1.340 (6) | C11—H11 | 0.9300 |
O1—C1 | 1.271 (6) | C12—C13 | 1.407 (10) |
O2—C1 | 1.233 (6) | C12—H12 | 0.9300 |
O3—C7 | 1.261 (6) | C13—H13 | 0.9300 |
O4—C7 | 1.249 (6) | C14—C15 | 1.381 (9) |
O4—Sn1ii | 2.384 (3) | C14—C19 | 1.394 (8) |
O5—H1 | 0.8347 | C15—C16 | 1.398 (9) |
O5—H2 | 0.9480 | C15—H15 | 0.9300 |
C1—C2 | 1.505 (7) | C16—C17 | 1.363 (10) |
C2—C3 | 1.376 (7) | C16—H16 | 0.9300 |
C3—C4 | 1.368 (8) | C17—C18 | 1.363 (10) |
C3—H3 | 0.9300 | C17—H17 | 0.9300 |
C4—C5 | 1.379 (7) | C18—C19 | 1.382 (8) |
C4—H4 | 0.9300 | C18—H18 | 0.9300 |
C5—C6 | 1.387 (7) | C19—H19 | 0.9300 |
C5—H5 | 0.9300 | ||
O1—Sn1—O3 | 135.61 (12) | C6—C5—H5 | 120.8 |
O1—Sn1—O4i | 151.67 (13) | N1—C6—C5 | 121.0 (4) |
O1—Sn1—O5 | 73.54 (12) | N1—C6—C7 | 114.5 (4) |
O4i—Sn1—O3 | 72.62 (12) | C5—C6—C7 | 124.5 (4) |
O5—Sn1—O3 | 150.79 (12) | O4—C7—O3 | 127.1 (4) |
O5—Sn1—O4i | 78.37 (12) | O4—C7—C6 | 116.9 (4) |
O1—Sn1—N1 | 69.74 (13) | O3—C7—C6 | 116.0 (4) |
O5—Sn1—N1 | 142.76 (13) | C13—C8—C9 | 119.4 (6) |
N1—Sn1—O3 | 65.98 (12) | C13—C8—Sn1 | 122.6 (5) |
N1—Sn1—O4i | 138.57 (12) | C9—C8—Sn1 | 117.9 (5) |
C8—Sn1—O1 | 95.5 (2) | C8—C9—C10 | 121.1 (7) |
C8—Sn1—O3 | 87.9 (2) | C8—C9—H9 | 119.4 |
C8—Sn1—O4i | 86.6 (2) | C10—C9—H9 | 119.4 |
C8—Sn1—O5 | 87.1 (2) | C11—C10—C9 | 116.5 (9) |
C8—Sn1—N1 | 90.43 (19) | C11—C10—H10 | 121.7 |
C8—Sn1—C14 | 172.6 (2) | C9—C10—H10 | 121.7 |
C14—Sn1—O1 | 91.42 (19) | C12—C11—C10 | 124.8 (8) |
C14—Sn1—O3 | 88.95 (19) | C12—C11—H11 | 117.6 |
C14—Sn1—O4i | 86.09 (18) | C10—C11—H11 | 117.6 |
C14—Sn1—O5 | 92.49 (18) | C11—C12—C13 | 117.7 (8) |
C14—Sn1—N1 | 94.38 (18) | C11—C12—H12 | 121.2 |
C6—N1—C2 | 120.2 (4) | C13—C12—H12 | 121.2 |
C6—N1—Sn1 | 122.6 (3) | C8—C13—C12 | 120.4 (8) |
C2—N1—Sn1 | 117.1 (3) | C8—C13—H13 | 119.8 |
C1—O1—Sn1 | 122.8 (3) | C12—C13—H13 | 119.8 |
C7—O3—Sn1 | 120.8 (3) | C15—C14—C19 | 118.4 (6) |
C7—O4—Sn1ii | 134.1 (3) | C15—C14—Sn1 | 123.1 (5) |
Sn1—O5—H1 | 120.6 | C19—C14—Sn1 | 118.4 (4) |
Sn1—O5—H2 | 107.0 | C14—C15—C16 | 119.5 (6) |
H1—O5—H2 | 109.4 | C14—C15—H15 | 120.3 |
O2—C1—O1 | 126.3 (5) | C16—C15—H15 | 120.3 |
O2—C1—C2 | 117.5 (4) | C17—C16—C15 | 121.2 (7) |
O1—C1—C2 | 116.2 (4) | C17—C16—H16 | 119.4 |
N1—C2—C3 | 121.5 (4) | C15—C16—H16 | 119.4 |
N1—C2—C1 | 113.8 (4) | C18—C17—C16 | 119.6 (7) |
C3—C2—C1 | 124.6 (4) | C18—C17—H17 | 120.2 |
C4—C3—C2 | 118.5 (5) | C16—C17—H17 | 120.2 |
C4—C3—H3 | 120.7 | C17—C18—C19 | 120.3 (7) |
C2—C3—H3 | 120.7 | C17—C18—H18 | 119.9 |
C3—C4—C5 | 120.4 (5) | C19—C18—H18 | 119.9 |
C3—C4—H4 | 119.8 | C18—C19—C14 | 120.9 (6) |
C5—C4—H4 | 119.8 | C18—C19—H19 | 119.5 |
C4—C5—C6 | 118.4 (5) | C14—C19—H19 | 119.5 |
C4—C5—H5 | 120.8 |
Symmetry codes: (i) −x+1, y−1/2, −z+1/2; (ii) −x+1, y+1/2, −z+1/2. |
D—H···A | D—H | H···A | D···A | D—H···A |
O5—H1···O2iii | 0.83 | 1.85 | 2.671 (3) | 167 |
O5—H2···O3i | 0.95 | 1.74 | 2.673 (3) | 166 |
Symmetry codes: (i) −x+1, y−1/2, −z+1/2; (iii) −x+1, −y+1, −z. |
Experimental details
Crystal data | |
Chemical formula | [Sn(C6H5)2(C7H3NO4)(H2O)] |
Mr | 456.03 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 298 |
a, b, c (Å) | 9.779 (2), 9.807 (2), 19.334 (4) |
β (°) | 100.915 (3) |
V (Å3) | 1820.6 (6) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 1.43 |
Crystal size (mm) | 0.48 × 0.45 × 0.44 |
Data collection | |
Diffractometer | Bruker SMART CCD area-detector diffractometer |
Absorption correction | Multi-scan (SADABS; Sheldrick, 1996) |
Tmin, Tmax | 0.509, 0.533 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 9237, 3206, 2651 |
Rint | 0.031 |
(sin θ/λ)max (Å−1) | 0.595 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.034, 0.094, 1.03 |
No. of reflections | 3206 |
No. of parameters | 235 |
No. of restraints | ? |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.72, −1.33 |
Computer programs: SMART (Bruker, 1998), SAINT (Bruker, 1998), SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), SHELXTL (Bruker, 1998).
Sn1—O1 | 2.222 (3) | Sn1—N1 | 2.342 (4) |
Sn1—O3 | 2.449 (3) | Sn1—C8 | 2.108 (6) |
Sn1—O4i | 2.384 (3) | Sn1—C14 | 2.123 (6) |
Sn1—O5 | 2.268 (3) | ||
O1—Sn1—O3 | 135.61 (12) | C8—Sn1—O3 | 87.9 (2) |
O1—Sn1—O4i | 151.67 (13) | C8—Sn1—O4i | 86.6 (2) |
O1—Sn1—O5 | 73.54 (12) | C8—Sn1—O5 | 87.1 (2) |
O4i—Sn1—O3 | 72.62 (12) | C8—Sn1—N1 | 90.43 (19) |
O5—Sn1—O3 | 150.79 (12) | C8—Sn1—C14 | 172.6 (2) |
O5—Sn1—O4i | 78.37 (12) | C14—Sn1—O1 | 91.42 (19) |
O1—Sn1—N1 | 69.74 (13) | C14—Sn1—O3 | 88.95 (19) |
O5—Sn1—N1 | 142.76 (13) | C14—Sn1—O4i | 86.09 (18) |
N1—Sn1—O3 | 65.98 (12) | C14—Sn1—O5 | 92.49 (18) |
N1—Sn1—O4i | 138.57 (12) | C14—Sn1—N1 | 94.38 (18) |
C8—Sn1—O1 | 95.5 (2) |
Symmetry code: (i) −x+1, y−1/2, −z+1/2. |
D—H···A | D—H | H···A | D···A | D—H···A |
O5—H1···O2ii | 0.83 | 1.85 | 2.671 (3) | 167 |
O5—H2···O3i | 0.95 | 1.74 | 2.673 (3) | 166 |
Symmetry codes: (i) −x+1, y−1/2, −z+1/2; (ii) −x+1, −y+1, −z. |
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Self-assembled organotin derivatives of carboxylic acid ligands have been extensively studied due to their biological activities (Gielen et al., 1988). Bi- or multidentate ligands containing O– or N-donors are often used to coordinate to tin centers. 2,6-pyridinedicarboxylic acid is a good bridging ligand that can sometimes be used to generate unexpected and interesting coordination polymers. We report herein the crystal structure of the title compound, (I).
The asymmetric unit of (I), (Fig. 1), contains two phenyl and one (2,6-pyridinedicarboxylate) groups bonded to the tin atom, where the bond lengths and angles (Table 1) are generally within normal ranges (Allen et al., 1987). The tin atom has a distorted pentagonal bipyramidal geometry with atoms C8 and C14 of the phenyl groups in axial positions and N1, O1, O3 and O4i atoms of 2,6-pyridinedicarboxylic acid [symmetry code: (i) -x + 1, y - 1/2, -z + 1/2] and O5 atom of water molecule in equatorial position, as in the similar compound, bis(dicyclohexylammonium)(oxalato)(pyridine-2,6-dicarboxyl- ato)dibutylstannate 3.5 hydrate (Ng, 1999).
The phenyl rings A (C8—C13) and B (C14—C19) are, of course, planar and the dihedral angle between them is A/B = 16.67 (3)°. The ring system containing the 2,6-pyridinedicarboxylic acid group C (Sn1/O1/O3/N1/C1—C7) is nearly planar and it is oriented with respect to the phenyl rings at dihedral angles of A/C = 87.11 (3)° and B/C = 84.38 (2)°.
In the crystal structure, intermolecular O—H···O hydrogen bonds (Table 2, Fig. 2) link the molecules, in which they seem to be effective in the stabilization of the structure.