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The title complex, [Ag2(C7H4ClO2)2(C5H6N2)2]·H2O, lies about an inversion center, with the water molecule on a twofold rotation axis, and the AgI atom is three-coordinated by two O atoms from two different but symmetry-related 4-chloro­benzoate anions and one N atom from one 2-amino­pyridine ligand. The 4-chloro­benzoate anion acts as a bidentate ligand, bridging two inversion-related Ag atoms of the complex and forming a dimer. In the crystal structure, the mol­ecules are linked through intramolecular and intermolecular N—H...O and O—H...O hydrogen bonds, forming two-dimensional layers parallel to the bc plane.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804029101/lh6295sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804029101/lh6295Isup2.hkl
Contains datablock I

CCDC reference: 258675

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.008 Å
  • R factor = 0.053
  • wR factor = 0.119
  • Data-to-parameter ratio = 16.9

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for C4
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 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

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SMART; 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) and PLATON (Spek, 2004); software used to prepare material for publication: SHELXTL.

Bis(µ-4-chlorobenzoato-κ2O:O')bis[(2-aminopyridine-κN)silver(I)](Ag—Ag) monohydrate top
Crystal data top
[Ag2(C7H4ClO2)2(C5H6N2)2]·H2OF(000) = 1448
Mr = 733.10Dx = 1.859 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 1127 reflections
a = 27.387 (2) Åθ = 2.4–23.6°
b = 5.504 (3) ŵ = 1.74 mm1
c = 17.879 (2) ÅT = 293 K
β = 103.630 (2)°Block, colorless
V = 2619.2 (15) Å30.15 × 0.12 × 0.10 mm
Z = 4
Data collection top
Bruker SMART CCD area-detector
diffractometer
2843 independent reflections
Radiation source: fine-focus sealed tube2598 reflections with I > 2σ(I)'
Graphite monochromatorRint = 0.033
ω scansθmax = 27.0°, θmin = 1.5°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 3434
Tmin = 0.780, Tmax = 0.845k = 77
13354 measured reflectionsl = 2222
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.053Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.119H atoms treated by a mixture of independent and constrained refinement
S = 1.23 w = 1/[σ2(Fo2) + (0.0498P)2 + 4.3842P]
where P = (Fo2 + 2Fc2)/3
2843 reflections(Δ/σ)max < 0.001
168 parametersΔρmax = 0.81 e Å3
0 restraintsΔρmin = 0.52 e Å3
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
xyzUiso*/Ueq
Ag11.027212 (14)0.28951 (7)0.48340 (2)0.05938 (17)
Cl10.75159 (5)0.1841 (3)0.10424 (9)0.0848 (5)
O10.96204 (14)0.2524 (6)0.3821 (2)0.0617 (9)
O20.92083 (13)0.5730 (7)0.41147 (19)0.0665 (10)
H2A1.00990.29940.32580.084*
H2B0.99840.08220.36080.102*
O1W1.00000.3873 (10)0.25000.0788 (15)
H1W0.98640.29850.28080.080*
N11.08071 (14)0.0233 (7)0.4617 (2)0.0530 (9)
N21.02398 (19)0.1785 (9)0.3572 (3)0.0799 (14)
C10.88113 (16)0.3357 (8)0.3057 (2)0.0448 (9)
C20.88092 (19)0.1317 (9)0.2600 (3)0.0619 (12)
H20.90800.02490.27110.074*
C30.8413 (2)0.0854 (10)0.1987 (3)0.0654 (13)
H30.84160.05120.16820.079*
C40.80151 (18)0.2410 (9)0.1829 (3)0.0561 (12)
C50.80048 (18)0.4428 (10)0.2270 (3)0.0658 (13)
H50.77310.54780.21580.079*
C60.84035 (18)0.4888 (10)0.2881 (3)0.0602 (12)
H60.83970.62610.31820.072*
C70.92452 (16)0.3916 (8)0.3720 (2)0.0470 (9)
C81.0689 (2)0.1959 (8)0.4085 (3)0.0567 (12)
C91.1023 (2)0.3862 (9)0.4041 (3)0.0642 (13)
H91.09340.50790.36730.077*
C101.1477 (2)0.3884 (11)0.4547 (3)0.0730 (15)
H101.17030.51280.45260.088*
C111.1607 (2)0.2085 (11)0.5092 (4)0.0755 (16)
H111.19200.20840.54380.091*
C121.1265 (2)0.0310 (10)0.5108 (3)0.0653 (13)
H121.13500.09120.54750.078*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.0618 (3)0.0602 (3)0.0505 (2)0.01167 (17)0.00194 (17)0.01571 (16)
Cl10.0621 (8)0.1214 (13)0.0622 (8)0.0244 (8)0.0024 (6)0.0081 (8)
O10.060 (2)0.063 (2)0.056 (2)0.0128 (16)0.0023 (16)0.0144 (15)
O20.065 (2)0.070 (2)0.058 (2)0.0101 (17)0.0033 (16)0.0270 (17)
O1W0.101 (4)0.071 (3)0.073 (3)0.0000.037 (3)0.000
N10.061 (2)0.045 (2)0.055 (2)0.0099 (17)0.0166 (18)0.0044 (17)
N20.073 (3)0.062 (3)0.097 (4)0.004 (2)0.004 (3)0.029 (3)
C10.048 (2)0.048 (2)0.040 (2)0.0024 (18)0.0130 (18)0.0041 (17)
C20.059 (3)0.055 (3)0.065 (3)0.003 (2)0.001 (2)0.017 (2)
C30.069 (3)0.057 (3)0.067 (3)0.008 (2)0.010 (3)0.021 (2)
C40.050 (3)0.072 (3)0.046 (2)0.016 (2)0.010 (2)0.003 (2)
C50.049 (3)0.079 (4)0.064 (3)0.013 (2)0.005 (2)0.008 (3)
C60.060 (3)0.068 (3)0.051 (3)0.009 (2)0.008 (2)0.017 (2)
C70.049 (2)0.054 (2)0.039 (2)0.001 (2)0.0132 (18)0.0024 (19)
C80.076 (3)0.042 (2)0.059 (3)0.001 (2)0.030 (3)0.003 (2)
C90.094 (4)0.047 (3)0.059 (3)0.006 (3)0.033 (3)0.002 (2)
C100.092 (4)0.062 (3)0.072 (3)0.029 (3)0.032 (3)0.011 (3)
C110.078 (4)0.074 (4)0.070 (4)0.024 (3)0.008 (3)0.006 (3)
C120.075 (3)0.059 (3)0.059 (3)0.015 (3)0.012 (3)0.000 (2)
Geometric parameters (Å, º) top
Ag1—O2i2.207 (3)C2—C31.373 (7)
Ag1—O12.233 (4)C2—H20.9301
Ag1—N12.352 (3)C3—C41.362 (7)
Ag1—Ag1i2.8913 (17)C3—H30.9300
Cl1—C41.743 (5)C4—C51.366 (7)
O1—C71.260 (5)C5—C61.374 (7)
O2—C71.241 (5)C5—H50.9300
O2—Ag1i2.207 (3)C6—H60.9300
O1W—H1W0.8812C8—C91.405 (7)
N1—C81.329 (6)C9—C101.356 (8)
N1—C121.352 (6)C9—H90.9300
N2—C81.353 (7)C10—C111.376 (9)
N2—H2A0.8964C10—H100.9299
N2—H2B0.8938C11—C121.359 (7)
C1—C61.375 (6)C11—H110.9299
C1—C21.387 (6)C12—H120.9300
C1—C71.499 (6)
O2i—Ag1—O1162.59 (12)C5—C4—Cl1119.5 (4)
O2i—Ag1—N195.17 (13)C4—C5—C6119.2 (5)
O1—Ag1—N1102.05 (13)C4—C5—H5120.4
O2i—Ag1—Ag1i79.08 (9)C6—C5—H5120.4
O1—Ag1—Ag1i83.55 (8)C5—C6—C1121.3 (4)
N1—Ag1—Ag1i172.77 (10)C5—C6—H6119.3
C7—O1—Ag1122.0 (3)C1—C6—H6119.4
C7—O2—Ag1i129.6 (3)O2—C7—O1125.5 (4)
C8—N1—C12118.4 (4)O2—C7—C1117.3 (4)
C8—N1—Ag1125.8 (3)O1—C7—C1117.1 (4)
C12—N1—Ag1115.7 (3)N1—C8—N2117.6 (4)
C8—N2—H2A124.0N1—C8—C9121.4 (5)
C8—N2—H2B126.6N2—C8—C9120.9 (5)
H2A—N2—H2B104.9C10—C9—C8118.4 (5)
C6—C1—C2118.1 (4)C10—C9—H9120.8
C6—C1—C7120.3 (4)C8—C9—H9120.8
C2—C1—C7121.6 (4)C9—C10—C11120.7 (5)
C3—C2—C1120.9 (5)C9—C10—H10119.6
C3—C2—H2119.6C11—C10—H10119.6
C1—C2—H2119.6C12—C11—C10117.9 (6)
C4—C3—C2119.5 (5)C12—C11—H11121.1
C4—C3—H3120.2C10—C11—H11121.1
C2—C3—H3120.2N1—C12—C11123.2 (5)
C3—C4—C5121.0 (5)N1—C12—H12118.4
C3—C4—Cl1119.5 (4)C11—C12—H12118.4
O2i—Ag1—O1—C78.1 (7)Ag1i—O2—C7—C1176.3 (3)
N1—Ag1—O1—C7179.5 (4)Ag1—O1—C7—O26.5 (7)
Ag1i—Ag1—O1—C74.1 (4)Ag1—O1—C7—C1174.8 (3)
O2i—Ag1—N1—C8172.9 (4)C6—C1—C7—O23.1 (6)
O1—Ag1—N1—C89.7 (4)C2—C1—C7—O2177.5 (5)
O2i—Ag1—N1—C123.7 (4)C6—C1—C7—O1175.6 (4)
O1—Ag1—N1—C12173.7 (3)C2—C1—C7—O13.7 (7)
C6—C1—C2—C30.5 (8)C12—N1—C8—N2176.6 (5)
C7—C1—C2—C3178.8 (5)Ag1—N1—C8—N26.8 (6)
C1—C2—C3—C40.5 (8)C12—N1—C8—C91.7 (7)
C2—C3—C4—C50.2 (8)Ag1—N1—C8—C9174.9 (3)
C2—C3—C4—Cl1179.2 (4)N1—C8—C9—C101.3 (7)
C3—C4—C5—C60.1 (8)N2—C8—C9—C10177.0 (5)
Cl1—C4—C5—C6178.9 (4)C8—C9—C10—C110.1 (8)
C4—C5—C6—C10.1 (8)C9—C10—C11—C120.5 (9)
C2—C1—C6—C50.2 (8)C8—N1—C12—C111.0 (8)
C7—C1—C6—C5179.1 (5)Ag1—N1—C12—C11175.9 (5)
Ag1i—O2—C7—O15.1 (7)C10—C11—C12—N10.1 (9)
Symmetry code: (i) x+2, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2A···O1Wii0.902.173.037 (6)162
N2—H2B···O10.892.173.009 (6)156
O1W—H1W···O10.882.092.892 (4)151
Symmetry code: (ii) x, y1, z.
 

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