


Supporting information
![]() | Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536808025671/sg2255sup1.cif |
![]() | Structure factor file (CIF format) https://doi.org/10.1107/S1600536808025671/sg2255Isup2.hkl |
CCDC reference: 702406
Key indicators
- Single-crystal X-ray study
- T = 296 K
- Mean
(C-C) = 0.005 Å
- R factor = 0.041
- wR factor = 0.095
- Data-to-parameter ratio = 14.0
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000) 100 Deg. PLAT180_ALERT_4_C Check Cell Rounding: # of Values Ending with 0 = 3
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 0 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 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
The source materials of Zinc hydroxide (0.005 g) and Quinclorac (3,7-Dichloro-8-quinolinecarboxylic acid) (0.024 g) dissolved in 10 ml distilled water and were carefully mixed, and then loaded into a Teflon-lined stainless steel autoclave. The sealed autoclave was heated to 433 K and maintained at this temperature for 48 h. After cooling to room temperature, then some colorless column crystal was obtained.
All H atoms were positioned geometrically and were allowed to ride on their parent atoms.
Data collection: CrystalClear (Rigaku/MSC, 2001); cell refinement: CrystalClear (Rigaku/MSC, 2001); data reduction: CrystalStructure (Rigaku/MSC, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).
[Zn(C10H4Cl2NO2)2(H2O)2]·H2O | Z = 2 |
Mr = 601.50 | F(000) = 604 |
Triclinic, P1 | Dx = 1.802 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 6.8678 (3) Å | Cell parameters from 1973 reflections |
b = 12.6996 (5) Å | θ = 1.6–26.0° |
c = 12.9317 (5) Å | µ = 1.64 mm−1 |
α = 87.572 (1)° | T = 296 K |
β = 82.893 (1)° | Column, colourless |
γ = 82.255 (1)° | 0.21 × 0.17 × 0.15 mm |
V = 1108.63 (8) Å3 |
Rigaku Mercury diffractometer | 4308 independent reflections |
Radiation source: fine-focus sealed tube | 3099 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.080 |
Detector resolution: 7.31 pixels mm-1 | θmax = 26.0°, θmin = 1.6° |
ω scans | h = −8→8 |
Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2001) | k = −15→15 |
Tmin = 0.725, Tmax = 0.791 | l = −15→14 |
14022 measured reflections |
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)] = 0.041 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.094 | H-atom parameters constrained |
S = 0.97 | w = 1/[σ2(Fo2) + (0.0408P)2] where P = (Fo2 + 2Fc2)/3 |
4308 reflections | (Δ/σ)max = 0.001 |
307 parameters | Δρmax = 1.20 e Å−3 |
0 restraints | Δρmin = −0.80 e Å−3 |
[Zn(C10H4Cl2NO2)2(H2O)2]·H2O | γ = 82.255 (1)° |
Mr = 601.50 | V = 1108.63 (8) Å3 |
Triclinic, P1 | Z = 2 |
a = 6.8678 (3) Å | Mo Kα radiation |
b = 12.6996 (5) Å | µ = 1.64 mm−1 |
c = 12.9317 (5) Å | T = 296 K |
α = 87.572 (1)° | 0.21 × 0.17 × 0.15 mm |
β = 82.893 (1)° |
Rigaku Mercury diffractometer | 4308 independent reflections |
Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2001) | 3099 reflections with I > 2σ(I) |
Tmin = 0.725, Tmax = 0.791 | Rint = 0.080 |
14022 measured reflections |
R[F2 > 2σ(F2)] = 0.041 | 0 restraints |
wR(F2) = 0.094 | H-atom parameters constrained |
S = 0.97 | Δρmax = 1.20 e Å−3 |
4308 reflections | Δρmin = −0.80 e Å−3 |
307 parameters |
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 | ||
C1 | 0.2965 (5) | 0.6256 (3) | 0.2794 (3) | 0.0197 (8) | |
H1 | 0.3070 | 0.6713 | 0.2215 | 0.024* | |
C2 | 0.3295 (5) | 0.5161 (3) | 0.2636 (3) | 0.0194 (8) | |
C3 | 0.3176 (5) | 0.4475 (3) | 0.3464 (3) | 0.0209 (8) | |
H3 | 0.3380 | 0.3746 | 0.3366 | 0.025* | |
C4 | 0.2565 (5) | 0.4215 (3) | 0.5377 (3) | 0.0210 (8) | |
H4 | 0.2778 | 0.3480 | 0.5315 | 0.025* | |
C5 | 0.2088 (5) | 0.4641 (3) | 0.6336 (3) | 0.0241 (9) | |
H5 | 0.1921 | 0.4201 | 0.6925 | 0.029* | |
C6 | 0.1848 (5) | 0.5751 (3) | 0.6434 (3) | 0.0186 (8) | |
C7 | 0.2042 (5) | 0.6439 (3) | 0.5590 (3) | 0.0176 (8) | |
C8 | 0.2434 (5) | 0.5998 (3) | 0.4583 (3) | 0.0173 (8) | |
C9 | 0.2741 (5) | 0.4879 (3) | 0.4474 (3) | 0.0188 (8) | |
C10 | 0.2017 (6) | 0.7613 (3) | 0.5715 (3) | 0.0220 (8) | |
C11 | −0.2472 (5) | 1.1168 (3) | 0.1346 (3) | 0.0194 (8) | |
H11 | −0.2486 | 1.1675 | 0.1846 | 0.023* | |
C12 | −0.2620 (5) | 1.1520 (3) | 0.0307 (3) | 0.0182 (8) | |
C13 | −0.2648 (5) | 1.0809 (3) | −0.0443 (3) | 0.0179 (8) | |
H13 | −0.2756 | 1.1034 | −0.1129 | 0.022* | |
C14 | −0.2534 (5) | 0.8915 (3) | −0.0880 (3) | 0.0221 (8) | |
H14 | −0.2643 | 0.9098 | −0.1577 | 0.027* | |
C15 | −0.2399 (5) | 0.7872 (3) | −0.0559 (3) | 0.0213 (8) | |
H15 | −0.2427 | 0.7346 | −0.1034 | 0.026* | |
C16 | −0.2218 (5) | 0.7597 (3) | 0.0488 (3) | 0.0196 (8) | |
C17 | −0.2162 (5) | 0.8341 (3) | 0.1213 (3) | 0.0167 (8) | |
C18 | −0.2329 (5) | 0.9426 (3) | 0.0898 (3) | 0.0170 (8) | |
C19 | −0.2509 (5) | 0.9721 (3) | −0.0157 (3) | 0.0172 (8) | |
C20 | −0.1707 (5) | 0.8066 (3) | 0.2315 (3) | 0.0179 (8) | |
Cl1 | 0.37704 (15) | 0.47230 (7) | 0.13739 (7) | 0.0300 (2) | |
Cl2 | 0.12831 (15) | 0.62268 (8) | 0.76860 (7) | 0.0300 (2) | |
Cl3 | −0.28261 (14) | 1.28675 (7) | 0.00156 (7) | 0.0247 (2) | |
Cl4 | −0.19519 (15) | 0.62565 (7) | 0.08517 (8) | 0.0295 (2) | |
N1 | 0.2514 (4) | 0.6674 (2) | 0.3722 (2) | 0.0185 (7) | |
N2 | −0.2316 (4) | 1.0165 (2) | 0.1644 (2) | 0.0190 (7) | |
O1 | 0.0705 (4) | 0.82485 (19) | 0.52664 (19) | 0.0294 (7) | |
O2 | 0.3222 (4) | 0.7909 (2) | 0.6231 (2) | 0.0325 (7) | |
O3 | 0.0098 (3) | 0.80624 (19) | 0.24133 (19) | 0.0222 (6) | |
O4 | −0.3021 (4) | 0.78885 (19) | 0.3020 (2) | 0.0289 (6) | |
O5 | −0.0852 (4) | 0.9774 (2) | 0.3738 (2) | 0.0336 (7) | |
H5A | −0.0800 | 1.0295 | 0.4126 | 0.040* | |
H5B | −0.1398 | 0.9842 | 0.3175 | 0.040* | |
O6 | 0.3458 (4) | 0.9015 (2) | 0.3214 (2) | 0.0350 (7) | |
H6A | 0.4589 | 0.8647 | 0.3195 | 0.042* | |
H6B | 0.3090 | 0.9657 | 0.3391 | 0.042* | |
O7 | 0.3413 (5) | 0.1059 (3) | 0.3655 (3) | 0.0858 (14) | |
H7B | 0.4519 | 0.1189 | 0.3815 | 0.103* | |
H7C | 0.2491 | 0.1273 | 0.4129 | 0.103* | |
Zn1 | 0.10699 (6) | 0.83389 (3) | 0.37255 (3) | 0.01835 (13) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.020 (2) | 0.0198 (19) | 0.019 (2) | 0.0004 (15) | −0.0046 (16) | −0.0023 (16) |
C2 | 0.0166 (19) | 0.022 (2) | 0.020 (2) | −0.0014 (15) | −0.0030 (15) | −0.0076 (15) |
C3 | 0.020 (2) | 0.0158 (19) | 0.027 (2) | −0.0019 (15) | −0.0032 (16) | −0.0063 (16) |
C4 | 0.019 (2) | 0.0162 (18) | 0.029 (2) | −0.0035 (15) | −0.0068 (17) | −0.0012 (16) |
C5 | 0.024 (2) | 0.023 (2) | 0.026 (2) | −0.0050 (16) | −0.0072 (17) | 0.0055 (17) |
C6 | 0.0165 (19) | 0.026 (2) | 0.0133 (19) | −0.0017 (15) | −0.0024 (15) | −0.0039 (15) |
C7 | 0.0130 (18) | 0.0215 (19) | 0.019 (2) | 0.0014 (15) | −0.0071 (15) | −0.0027 (15) |
C8 | 0.0145 (18) | 0.0200 (19) | 0.017 (2) | −0.0006 (15) | −0.0037 (15) | −0.0004 (15) |
C9 | 0.0177 (19) | 0.0184 (19) | 0.019 (2) | 0.0008 (15) | −0.0025 (15) | −0.0004 (15) |
C10 | 0.032 (2) | 0.0191 (19) | 0.0123 (19) | 0.0004 (17) | 0.0038 (17) | −0.0019 (15) |
C11 | 0.020 (2) | 0.0167 (19) | 0.021 (2) | 0.0004 (15) | −0.0006 (16) | −0.0068 (15) |
C12 | 0.0152 (18) | 0.0160 (18) | 0.022 (2) | 0.0006 (15) | 0.0008 (15) | 0.0017 (15) |
C13 | 0.0128 (18) | 0.0232 (19) | 0.018 (2) | −0.0009 (15) | −0.0041 (15) | 0.0017 (16) |
C14 | 0.023 (2) | 0.029 (2) | 0.014 (2) | −0.0046 (17) | 0.0010 (16) | 0.0006 (16) |
C15 | 0.0192 (19) | 0.022 (2) | 0.023 (2) | −0.0018 (16) | −0.0013 (16) | −0.0082 (16) |
C16 | 0.0161 (19) | 0.0153 (18) | 0.028 (2) | −0.0011 (15) | −0.0049 (16) | 0.0000 (16) |
C17 | 0.0068 (17) | 0.0229 (19) | 0.021 (2) | −0.0022 (14) | −0.0032 (14) | 0.0007 (15) |
C18 | 0.0106 (17) | 0.0219 (19) | 0.0188 (19) | −0.0006 (14) | −0.0037 (15) | −0.0023 (15) |
C19 | 0.0087 (17) | 0.0237 (19) | 0.019 (2) | −0.0008 (15) | −0.0023 (14) | −0.0016 (15) |
C20 | 0.022 (2) | 0.0102 (17) | 0.021 (2) | 0.0001 (15) | −0.0038 (16) | −0.0012 (15) |
Cl1 | 0.0431 (6) | 0.0251 (5) | 0.0207 (5) | −0.0030 (4) | 0.0021 (4) | −0.0090 (4) |
Cl2 | 0.0445 (6) | 0.0278 (5) | 0.0170 (5) | −0.0053 (4) | −0.0006 (4) | −0.0009 (4) |
Cl3 | 0.0300 (5) | 0.0170 (5) | 0.0251 (5) | 0.0009 (4) | −0.0006 (4) | 0.0019 (4) |
Cl4 | 0.0426 (6) | 0.0176 (5) | 0.0297 (6) | −0.0056 (4) | −0.0077 (5) | −0.0008 (4) |
N1 | 0.0214 (16) | 0.0166 (15) | 0.0173 (17) | 0.0003 (13) | −0.0044 (13) | −0.0005 (13) |
N2 | 0.0186 (16) | 0.0175 (16) | 0.0202 (17) | −0.0007 (13) | −0.0011 (13) | −0.0023 (13) |
O1 | 0.0448 (18) | 0.0228 (14) | 0.0167 (14) | 0.0110 (13) | −0.0039 (13) | −0.0015 (11) |
O2 | 0.0441 (18) | 0.0280 (15) | 0.0284 (16) | −0.0120 (13) | −0.0078 (14) | −0.0041 (12) |
O3 | 0.0171 (14) | 0.0299 (14) | 0.0196 (14) | 0.0019 (11) | −0.0063 (11) | −0.0047 (11) |
O4 | 0.0284 (15) | 0.0272 (15) | 0.0289 (16) | −0.0032 (12) | 0.0019 (13) | 0.0085 (12) |
O5 | 0.0471 (18) | 0.0223 (14) | 0.0319 (17) | 0.0073 (13) | −0.0161 (14) | −0.0108 (12) |
O6 | 0.0202 (15) | 0.0234 (15) | 0.060 (2) | −0.0003 (12) | −0.0006 (14) | −0.0041 (13) |
O7 | 0.050 (2) | 0.075 (3) | 0.132 (4) | −0.030 (2) | 0.031 (2) | −0.055 (3) |
Zn1 | 0.0206 (2) | 0.0172 (2) | 0.0168 (2) | −0.00023 (17) | −0.00297 (17) | −0.00061 (17) |
C1—N1 | 1.316 (4) | C13—H13 | 0.9300 |
C1—C2 | 1.399 (5) | C14—C15 | 1.365 (5) |
C1—H1 | 0.9300 | C14—C19 | 1.419 (5) |
C2—C3 | 1.352 (5) | C14—H14 | 0.9300 |
C2—Cl1 | 1.725 (4) | C15—C16 | 1.400 (5) |
C3—C9 | 1.407 (5) | C15—H15 | 0.9300 |
C3—H3 | 0.9300 | C16—C17 | 1.366 (5) |
C4—C5 | 1.359 (5) | C16—Cl4 | 1.739 (3) |
C4—C9 | 1.414 (5) | C17—C18 | 1.414 (5) |
C4—H4 | 0.9300 | C17—C20 | 1.514 (5) |
C5—C6 | 1.406 (5) | C18—N2 | 1.376 (4) |
C5—H5 | 0.9300 | C18—C19 | 1.415 (5) |
C6—C7 | 1.374 (5) | C20—O4 | 1.237 (4) |
C6—Cl2 | 1.732 (4) | C20—O3 | 1.261 (4) |
C7—C8 | 1.421 (5) | N1—Zn1 | 2.211 (3) |
C7—C10 | 1.504 (5) | O1—Zn1 | 1.978 (2) |
C8—N1 | 1.377 (4) | O3—Zn1 | 1.960 (2) |
C8—C9 | 1.419 (5) | O5—Zn1 | 2.101 (2) |
C10—O2 | 1.231 (4) | O5—H5A | 0.85 |
C10—O1 | 1.301 (4) | O5—H5B | 0.86 |
C11—N2 | 1.310 (4) | O6—Zn1 | 1.982 (2) |
C11—C12 | 1.410 (5) | O6—H6A | 0.85 |
C11—H11 | 0.9300 | O6—H6B | 0.85 |
C12—C13 | 1.356 (5) | O7—H7B | 0.85 |
C12—Cl3 | 1.727 (3) | O7—H7C | 0.85 |
C13—C19 | 1.409 (5) | ||
N1—C1—C2 | 123.4 (3) | C14—C15—C16 | 119.8 (3) |
N1—C1—H1 | 118.3 | C14—C15—H15 | 120.1 |
C2—C1—H1 | 118.3 | C16—C15—H15 | 120.1 |
C3—C2—C1 | 119.8 (3) | C17—C16—C15 | 122.2 (3) |
C3—C2—Cl1 | 121.7 (3) | C17—C16—Cl4 | 119.5 (3) |
C1—C2—Cl1 | 118.5 (3) | C15—C16—Cl4 | 118.2 (3) |
C2—C3—C9 | 119.2 (3) | C16—C17—C18 | 118.8 (3) |
C2—C3—H3 | 120.4 | C16—C17—C20 | 123.6 (3) |
C9—C3—H3 | 120.4 | C18—C17—C20 | 117.3 (3) |
C5—C4—C9 | 120.5 (3) | N2—C18—C17 | 118.0 (3) |
C5—C4—H4 | 119.7 | N2—C18—C19 | 122.2 (3) |
C9—C4—H4 | 119.7 | C17—C18—C19 | 119.9 (3) |
C4—C5—C6 | 119.7 (3) | C13—C19—C18 | 118.2 (3) |
C4—C5—H5 | 120.1 | C13—C19—C14 | 122.8 (3) |
C6—C5—H5 | 120.1 | C18—C19—C14 | 119.0 (3) |
C7—C6—C5 | 122.6 (3) | O4—C20—O3 | 125.9 (3) |
C7—C6—Cl2 | 120.7 (3) | O4—C20—C17 | 121.5 (3) |
C5—C6—Cl2 | 116.7 (3) | O3—C20—C17 | 112.6 (3) |
C6—C7—C8 | 117.8 (3) | C1—N1—C8 | 118.3 (3) |
C6—C7—C10 | 121.9 (3) | C1—N1—Zn1 | 115.1 (2) |
C8—C7—C10 | 120.1 (3) | C8—N1—Zn1 | 123.8 (2) |
N1—C8—C9 | 121.0 (3) | C11—N2—C18 | 117.6 (3) |
N1—C8—C7 | 118.9 (3) | C10—O1—Zn1 | 117.0 (2) |
C9—C8—C7 | 120.1 (3) | C20—O3—Zn1 | 123.7 (2) |
C3—C9—C4 | 122.6 (3) | Zn1—O5—H5A | 124.5 |
C3—C9—C8 | 118.3 (3) | Zn1—O5—H5B | 109.3 |
C4—C9—C8 | 119.1 (3) | H5A—O5—H5B | 123.2 |
O2—C10—O1 | 124.4 (3) | Zn1—O6—H6A | 119.1 |
O2—C10—C7 | 118.4 (3) | Zn1—O6—H6B | 101.5 |
O1—C10—C7 | 117.2 (3) | H6A—O6—H6B | 129.9 |
N2—C11—C12 | 123.4 (3) | H7B—O7—H7C | 110.1 |
N2—C11—H11 | 118.3 | O3—Zn1—O1 | 147.92 (11) |
C12—C11—H11 | 118.3 | O3—Zn1—O6 | 101.43 (11) |
C13—C12—C11 | 120.2 (3) | O1—Zn1—O6 | 110.65 (12) |
C13—C12—Cl3 | 120.9 (3) | O3—Zn1—O5 | 86.43 (10) |
C11—C12—Cl3 | 118.9 (3) | O1—Zn1—O5 | 90.82 (10) |
C12—C13—C19 | 118.4 (3) | O6—Zn1—O5 | 94.10 (11) |
C12—C13—H13 | 120.8 | O3—Zn1—N1 | 87.67 (10) |
C19—C13—H13 | 120.8 | O1—Zn1—N1 | 88.61 (10) |
C15—C14—C19 | 120.3 (3) | O6—Zn1—N1 | 97.37 (11) |
C15—C14—H14 | 119.8 | O5—Zn1—N1 | 167.94 (11) |
C19—C14—H14 | 119.8 |
D—H···A | D—H | H···A | D···A | D—H···A |
O5—H5A···O1i | 0.85 | 2.05 | 2.889 (4) | 166 |
O5—H5B···N2 | 0.86 | 2.16 | 3.002 (4) | 169 |
O6—H6A···O4ii | 0.85 | 1.78 | 2.628 (4) | 174 |
O6—H6B···O7iii | 0.85 | 1.87 | 2.677 (4) | 156 |
O7—H7B···O2iv | 0.85 | 2.04 | 2.827 (4) | 153 |
O7—H7C···O1v | 0.85 | 2.25 | 3.029 (4) | 153 |
Symmetry codes: (i) −x, −y+2, −z+1; (ii) x+1, y, z; (iii) x, y+1, z; (iv) −x+1, −y+1, −z+1; (v) −x, −y+1, −z+1. |
Experimental details
Crystal data | |
Chemical formula | [Zn(C10H4Cl2NO2)2(H2O)2]·H2O |
Mr | 601.50 |
Crystal system, space group | Triclinic, P1 |
Temperature (K) | 296 |
a, b, c (Å) | 6.8678 (3), 12.6996 (5), 12.9317 (5) |
α, β, γ (°) | 87.572 (1), 82.893 (1), 82.255 (1) |
V (Å3) | 1108.63 (8) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 1.64 |
Crystal size (mm) | 0.21 × 0.17 × 0.15 |
Data collection | |
Diffractometer | Rigaku Mercury diffractometer |
Absorption correction | Multi-scan (CrystalClear; Rigaku/MSC, 2001) |
Tmin, Tmax | 0.725, 0.791 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 14022, 4308, 3099 |
Rint | 0.080 |
(sin θ/λ)max (Å−1) | 0.617 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.041, 0.094, 0.97 |
No. of reflections | 4308 |
No. of parameters | 307 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 1.20, −0.80 |
Computer programs: CrystalClear (Rigaku/MSC, 2001), CrystalStructure (Rigaku/MSC, 2004), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEPII (Johnson, 1976).
D—H···A | D—H | H···A | D···A | D—H···A |
O5—H5A···O1i | 0.85 | 2.05 | 2.889 (4) | 166.4 |
O5—H5B···N2 | 0.86 | 2.16 | 3.002 (4) | 169.3 |
O6—H6A···O4ii | 0.85 | 1.78 | 2.628 (4) | 174.4 |
O6—H6B···O7iii | 0.85 | 1.87 | 2.677 (4) | 156.2 |
O7—H7B···O2iv | 0.85 | 2.04 | 2.827 (4) | 153.2 |
O7—H7C···O1v | 0.85 | 2.25 | 3.029 (4) | 152.8 |
Symmetry codes: (i) −x, −y+2, −z+1; (ii) x+1, y, z; (iii) x, y+1, z; (iv) −x+1, −y+1, −z+1; (v) −x, −y+1, −z+1. |
Quinolinecarboxylate derivatives and their complexes have attracted considerable interest, because of their interesting high germicidal, antitumoral and pharmacological properties (Adnan et al., 2003; Lumme et al., 1984). Although some transition metal complexes of quinolinecarboxylate ligands have been reported (Che et al., 2005; Chen et al., 2001; Yang et al., 2005), the crystal structures of the 3,7-Dichloro-8-quinolinecarboxylate and its complexes are limited in number, the only two examples are [M(C10H4Cl2NO2)2]n(M = Ni, Co) (Li et al., 2008; Zhang et al., 2007). we report herein on the structure of [Zn(C10H4Cl2NO2)2(H2O)2].H2O, (I).
The title complex, (I) crystallizes in the triclinic space group P1, with free water molecules in the crystal structure.The Zn(II) center exhibits a distorted square-pyramidal geometry defined by two O atoms and one N atom from two distinct 3,7-Dichloro-8-quinolinecarboxylate ligands, and two water molecules (Fig.1). The N1, O1, O3 and O5 atoms form the base plane, while the O6 atom occupies the axial position.The carboxylate group is bound in a monodentate fashion, with a weak intramolecular O—H···O H-bond between the carboxylate O atom and water molecules. The [Zn(C10H4Cl2NO2)2(H2O)2] molecules are linked via these H-bond interactions into a 1-D helical chain along the [100] direction (Fig. 2).