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In the title compound, [Ag(C6H5NO2)2]NO3·2H2O, the Ag atom is coordinated by two N atoms from pyridine-4-carboxylic acid ligands. An infinite hydrogen-bonding structure between cation, anion and water mol­ecules results in the formation of a double chain parallel to the b axis. These double chains are inter­connected by weak O...Ag inter­actions involving one O atom of a neighbouring nitrate.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806045624/dn2084sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806045624/dn2084Isup2.hkl
Contains datablock I

CCDC reference: 629645

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.040
  • wR factor = 0.092
  • Data-to-parameter ratio = 15.8

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.98 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N3
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 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 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPIII (Burnett & Johnson, 1996), ORTEP-3 for Windows (Farrugia, 1997) and CAMERON (Watkin et al., 1993); software used to prepare material for publication: SHELXL97.

Bis(pyridine-4-carboxylic acid-κN)silver(I) nitrate dihydrate top
Crystal data top
[Ag(C6H5NO2)2]NO3·2H2OF(000) = 904
Mr = 452.13Dx = 1.898 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 12223 reflections
a = 6.954 (4) Åθ = 6.0–55.0°
b = 21.605 (9) ŵ = 1.33 mm1
c = 10.849 (7) ÅT = 295 K
β = 103.93 (2)°Block, colourless
V = 1582.0 (14) Å30.30 × 0.29 × 0.26 mm
Z = 4
Data collection top
Rigaku R-AXIS RAPID
diffractometer
3598 independent reflections
Radiation source: fine-focus sealed tube2607 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.051
ω scansθmax = 27.5°, θmin = 3.2°
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
h = 88
Tmin = 0.690, Tmax = 0.721k = 2527
15087 measured reflectionsl = 1414
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)] = 0.040Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.092H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0446P)2]
where P = (Fo2 + 2Fc2)/3
3598 reflections(Δ/σ)max < 0.001
228 parametersΔρmax = 0.70 e Å3
0 restraintsΔρmin = 0.39 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
Ag0.41491 (4)0.477594 (9)0.63407 (3)0.05186 (12)
N10.4350 (4)0.37952 (10)0.6180 (2)0.0367 (6)
N20.3661 (4)0.57447 (10)0.6497 (3)0.0397 (6)
N30.5486 (4)0.00539 (11)0.7722 (3)0.0437 (6)
O10.3233 (4)0.15544 (9)0.5062 (2)0.0559 (7)
O20.5466 (4)0.15485 (9)0.6933 (2)0.0524 (6)
H20.54100.11720.68390.079*
O30.4329 (4)0.80133 (9)0.7444 (2)0.0523 (6)
O40.2065 (4)0.79658 (9)0.5604 (2)0.0499 (6)
H40.19740.83390.57160.075*
C110.2973 (4)0.34870 (12)0.5316 (3)0.0388 (7)
H110.20100.37140.47530.047*
C120.2920 (4)0.28549 (12)0.5226 (3)0.0370 (7)
H120.19320.26600.46200.044*
C130.4351 (4)0.25110 (12)0.6045 (3)0.0318 (6)
C140.5805 (5)0.28236 (12)0.6927 (3)0.0379 (7)
H140.67980.26050.74850.046*
C150.5763 (5)0.34559 (13)0.6965 (3)0.0405 (7)
H150.67480.36610.75550.049*
C160.4284 (4)0.18169 (12)0.5945 (3)0.0372 (7)
C210.4697 (5)0.60758 (13)0.7478 (3)0.0444 (8)
H210.55320.58670.81480.053*
C220.4581 (5)0.67086 (12)0.7540 (3)0.0391 (7)
H220.53230.69210.82400.047*
C230.3349 (4)0.70273 (11)0.6552 (3)0.0305 (6)
C240.2240 (4)0.66907 (12)0.5543 (3)0.0331 (6)
H240.13840.68900.48680.040*
C250.2427 (5)0.60562 (12)0.5555 (3)0.0377 (7)
H250.16640.58320.48800.045*
C260.3312 (5)0.77215 (12)0.6592 (3)0.0339 (6)
O50.1622 (4)0.03857 (11)0.4135 (3)0.0604 (7)
H5A0.22940.06330.44130.091*
H5B0.17290.00430.45620.091*
O60.2026 (4)0.08284 (9)0.5644 (2)0.0535 (6)
H6A0.09020.06910.57040.080*
H6B0.28820.07180.62940.080*
O310.6791 (4)0.02802 (10)0.8570 (3)0.0639 (7)
O320.4858 (4)0.04755 (10)0.7808 (3)0.0693 (9)
O330.4745 (4)0.03586 (10)0.6745 (3)0.0631 (8)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag0.0664 (2)0.02560 (14)0.0639 (2)0.00416 (10)0.01623 (14)0.00076 (10)
N10.0423 (15)0.0293 (12)0.0377 (16)0.0000 (9)0.0079 (12)0.0014 (9)
N20.0423 (16)0.0300 (12)0.0444 (17)0.0014 (10)0.0056 (12)0.0029 (10)
N30.0480 (16)0.0299 (12)0.0470 (17)0.0012 (10)0.0007 (13)0.0009 (10)
O10.0728 (18)0.0321 (11)0.0515 (16)0.0032 (10)0.0075 (13)0.0028 (10)
O20.0623 (15)0.0282 (10)0.0564 (16)0.0026 (10)0.0061 (12)0.0068 (9)
O30.0621 (15)0.0339 (11)0.0504 (15)0.0033 (10)0.0070 (12)0.0057 (9)
O40.0638 (16)0.0318 (10)0.0421 (14)0.0088 (10)0.0112 (12)0.0011 (9)
C110.0322 (16)0.0374 (15)0.0430 (19)0.0060 (11)0.0016 (14)0.0057 (12)
C120.0348 (16)0.0346 (15)0.0366 (18)0.0006 (11)0.0008 (13)0.0012 (11)
C130.0352 (17)0.0291 (14)0.0311 (17)0.0010 (10)0.0082 (13)0.0014 (10)
C140.0397 (17)0.0346 (15)0.0350 (17)0.0036 (11)0.0001 (14)0.0054 (11)
C150.0422 (18)0.0363 (15)0.0380 (18)0.0022 (12)0.0003 (14)0.0042 (12)
C160.0399 (17)0.0309 (14)0.0399 (18)0.0016 (11)0.0078 (14)0.0029 (12)
C210.0481 (19)0.0400 (16)0.0393 (19)0.0068 (13)0.0010 (15)0.0066 (13)
C220.0455 (18)0.0330 (15)0.0330 (17)0.0040 (12)0.0021 (14)0.0024 (11)
C230.0294 (14)0.0321 (13)0.0298 (15)0.0018 (10)0.0071 (12)0.0000 (10)
C240.0307 (15)0.0371 (14)0.0281 (16)0.0023 (11)0.0003 (12)0.0003 (11)
C250.0399 (17)0.0348 (14)0.0360 (17)0.0030 (12)0.0040 (14)0.0090 (12)
C260.0380 (16)0.0313 (13)0.0317 (16)0.0023 (11)0.0068 (13)0.0001 (11)
O50.0658 (17)0.0459 (12)0.0592 (18)0.0027 (11)0.0052 (14)0.0005 (11)
O60.0581 (16)0.0408 (12)0.0522 (16)0.0001 (9)0.0053 (12)0.0024 (10)
O310.0705 (17)0.0490 (14)0.0560 (17)0.0140 (11)0.0160 (14)0.0073 (11)
O320.088 (2)0.0358 (12)0.0636 (18)0.0208 (12)0.0229 (15)0.0140 (11)
O330.0853 (19)0.0332 (11)0.0547 (16)0.0030 (11)0.0148 (14)0.0102 (10)
Geometric parameters (Å, º) top
Ag—N12.133 (2)C13—C141.389 (4)
Ag—N22.134 (2)C13—C161.504 (4)
N1—C111.344 (4)C14—C151.367 (4)
N1—C151.351 (4)C14—H140.9300
N2—C211.339 (4)C15—H150.9300
N2—C251.346 (4)C21—C221.372 (4)
N3—O311.228 (4)C21—H210.9300
N3—O321.236 (3)C22—C231.384 (4)
N3—O331.248 (4)C22—H220.9300
O1—C161.198 (4)C23—C241.384 (4)
O2—C161.318 (4)C23—C261.501 (4)
O2—H20.8200C24—C251.377 (4)
O3—C261.199 (4)C24—H240.9300
O4—C261.316 (4)C25—H250.9300
O4—H40.8200O5—H5A0.7261
C11—C121.369 (4)O5—H5B0.8668
C11—H110.9300O6—H6A0.8531
C12—C131.380 (4)O6—H6B0.8405
C12—H120.9300
N1—Ag—N2174.62 (10)N1—C15—H15118.6
C11—N1—C15117.3 (2)C14—C15—H15118.6
C11—N1—Ag119.96 (19)O1—C16—O2125.7 (3)
C15—N1—Ag122.6 (2)O1—C16—C13122.1 (3)
C21—N2—C25117.3 (2)O2—C16—C13112.2 (3)
C21—N2—Ag121.5 (2)N2—C21—C22123.0 (3)
C25—N2—Ag121.0 (2)N2—C21—H21118.5
O31—N3—O32121.5 (3)C22—C21—H21118.5
O31—N3—O33120.4 (3)C21—C22—C23119.4 (3)
O32—N3—O33118.1 (3)C21—C22—H22120.3
C16—O2—H2109.5C23—C22—H22120.3
C26—O4—H4109.5C24—C23—C22118.3 (2)
N1—C11—C12123.1 (3)C24—C23—C26122.5 (3)
N1—C11—H11118.4C22—C23—C26119.1 (2)
C12—C11—H11118.4C25—C24—C23118.8 (3)
C11—C12—C13119.2 (3)C25—C24—H24120.6
C11—C12—H12120.4C23—C24—H24120.6
C13—C12—H12120.4N2—C25—C24123.1 (3)
C12—C13—C14118.3 (2)N2—C25—H25118.4
C12—C13—C16119.1 (3)C24—C25—H25118.4
C14—C13—C16122.6 (3)O3—C26—O4124.6 (3)
C15—C14—C13119.3 (3)O3—C26—C23122.5 (3)
C15—C14—H14120.4O4—C26—C23112.9 (2)
C13—C14—H14120.4H5A—O5—H5B116.3
N1—C15—C14122.7 (3)H6A—O6—H6B108.3
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O2—H2···O330.821.812.618 (3)167
O2—H2···N30.822.593.340 (3)152
O4—H4···O6i0.821.802.606 (3)167
O5—H5A···O10.732.162.846 (3)158
O5—H5B···O60.872.203.069 (3)180
O6—H6A···O5ii0.851.922.775 (4)179
O6—H6B···O320.841.942.783 (4)179
Symmetry codes: (i) x, y+1, z; (ii) x, y, z+1.
 

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