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In the title one-dimensional polymeric structure, [Ag(C9H10NO2)]n, the AgI atom is bis-coordinated by an O and an N atom. Inter­molecular N—H...O [H...O = 2.07 (3) Å] and C—H...O (H...O = 2.54–2.58 Å) hydrogen bonds and a weak C—H...π(arene) inter­action link the polymeric chains into an extended three-dimensional framework.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806019568/lh2081sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806019568/lh2081Isup2.hkl
Contains datablock I

CCDC reference: 613765

Key indicators

  • Single-crystal X-ray study
  • T = 292 K
  • Mean [sigma](C-C) = 0.014 Å
  • R factor = 0.047
  • wR factor = 0.171
  • Data-to-parameter ratio = 11.7

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct... 1 PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged .... H8 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 14 PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1A ... ?
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 25.04 From the CIF: _reflns_number_total 1362 Count of symmetry unique reflns 880 Completeness (_total/calc) 154.77% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 482 Fraction of Friedel pairs measured 0.548 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 1 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 1 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.

catena-Poly[silver(I)-µ-L-phenylalaninato-κ2N:O] top
Crystal data top
[Ag(C9H10NO2)]F(000) = 268
Mr = 272.05Dx = 2.006 Mg m3
Monoclinic, P21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ybCell parameters from 1412 reflections
a = 7.2244 (13) Åθ = 3.1–28.3°
b = 6.4049 (12) ŵ = 2.20 mm1
c = 10.1620 (19) ÅT = 292 K
β = 106.692 (3)°Prism, colourless
V = 450.40 (14) Å30.10 × 0.10 × 0.06 mm
Z = 2
Data collection top
Bruker SMART CCD area-detector
diffractometer
1362 independent reflections
Radiation source: fine-focus sealed tube1305 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.017
φ and ω scansθmax = 25.0°, θmin = 2.1°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 87
Tmin = 0.810, Tmax = 0.879k = 77
1859 measured reflectionsl = 612
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.047H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.171 w = 1/[σ2(Fo2) + (0.1016P)2 + 0.9012P]
where P = (Fo2 + 2Fc2)/3
S = 1.24(Δ/σ)max = 0.001
1362 reflectionsΔρmax = 1.45 e Å3
116 parametersΔρmin = 1.03 e Å3
23 restraintsAbsolute structure: Flack (1983), with 500 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.02 (11)
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
Ag10.43050 (10)0.4239 (2)0.11592 (8)0.0542 (4)
C10.5362 (10)0.8513 (11)0.2676 (6)0.041 (3)
H10.46930.93250.19330.049*
C20.7294 (10)0.8922 (12)0.3330 (7)0.059 (3)
H20.79201.00060.30240.070*
C30.8292 (10)0.7711 (12)0.4439 (7)0.048 (3)
H30.95870.79850.48770.058*
C40.7357 (9)0.6093 (11)0.4896 (7)0.040 (2)
H40.80260.52820.56400.048*
C50.5425 (9)0.5685 (10)0.4242 (6)0.037 (2)
H50.47980.46000.45480.044*
C60.4427 (9)0.6895 (10)0.3133 (6)0.032 (2)
C70.2278 (15)0.6549 (17)0.2512 (10)0.036 (2)
H7A0.17480.77200.19180.043*
H7B0.16670.65290.32460.043*
C80.1760 (13)0.4523 (17)0.1679 (9)0.028 (2)
H80.225 (17)0.33 (2)0.230 (10)0.034*
C90.0443 (12)0.438 (2)0.1202 (9)0.0323 (19)
N10.2598 (11)0.441 (2)0.0536 (7)0.0373 (18)
H1A0.251 (19)0.553 (7)0.005 (8)0.045*
H1B0.24 (2)0.327 (8)0.007 (8)0.045*
O10.1274 (12)0.3325 (16)0.1937 (8)0.054 (2)
O20.1340 (12)0.5250 (15)0.0117 (8)0.053 (2)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.0199 (5)0.0741 (6)0.0702 (6)0.0019 (5)0.0155 (3)0.0170 (5)
C10.050 (7)0.037 (5)0.031 (4)0.007 (5)0.003 (4)0.005 (4)
C20.039 (5)0.077 (8)0.058 (5)0.012 (6)0.011 (4)0.031 (6)
C30.027 (5)0.058 (6)0.058 (6)0.009 (5)0.010 (4)0.017 (5)
C40.026 (5)0.045 (5)0.046 (5)0.003 (4)0.005 (4)0.002 (4)
C50.038 (6)0.029 (4)0.042 (5)0.004 (4)0.010 (4)0.002 (4)
C60.028 (5)0.042 (5)0.023 (4)0.001 (4)0.003 (3)0.004 (4)
C70.024 (6)0.036 (5)0.045 (5)0.002 (4)0.007 (4)0.004 (4)
C80.015 (4)0.026 (5)0.041 (4)0.002 (4)0.004 (3)0.008 (4)
C90.019 (4)0.029 (4)0.050 (4)0.003 (6)0.011 (3)0.014 (6)
N10.020 (4)0.051 (5)0.041 (3)0.009 (6)0.010 (3)0.001 (5)
O10.025 (4)0.074 (6)0.063 (5)0.006 (4)0.016 (4)0.020 (4)
O20.025 (4)0.060 (5)0.064 (5)0.003 (4)0.004 (4)0.016 (4)
Geometric parameters (Å, º) top
Ag1—N1i2.146 (8)C6—C71.515 (12)
Ag1—O12.184 (9)C7—C81.536 (14)
C1—C21.388C7—H7A0.9700
C1—C61.388C7—H7B0.9700
C1—H10.9300C8—N11.459 (12)
C2—C31.388C8—C91.527 (14)
C2—H20.9300C8—H80.98 (12)
C3—C41.388C9—O21.238 (14)
C3—H30.9300C9—O11.279 (14)
C4—C51.388N1—Ag1ii2.146 (8)
C4—H40.9300N1—H1A0.86 (6)
C5—C61.388N1—H1B0.86 (6)
C5—H50.9300
N1i—Ag1—O1166.6 (4)C8—C7—H7A108.7
C2—C1—C6120.0C6—C7—H7B108.7
C2—C1—H1120.0C8—C7—H7B108.7
C6—C1—H1120.0H7A—C7—H7B107.6
C1—C2—C3120.0N1—C8—C9112.1 (7)
C1—C2—H2120.0N1—C8—C7112.9 (10)
C3—C2—H2120.0C9—C8—C7107.0 (8)
C2—C3—C4120.0N1—C8—H8108 (6)
C2—C3—H3120.0C9—C8—H8108 (7)
C4—C3—H3120.0C7—C8—H8108 (6)
C3—C4—C5120.0O2—C9—O1123.0 (9)
C3—C4—H4120.0O2—C9—C8119.2 (9)
C5—C4—H4120.0O1—C9—C8117.8 (9)
C6—C5—C4120.0C8—N1—Ag1ii113.8 (5)
C6—C5—H5120.0C8—N1—H1A116 (4)
C4—C5—H5120.0Ag1ii—N1—H1A96 (9)
C5—C6—C1120.0C8—N1—H1B116 (4)
C5—C6—C7119.2 (6)Ag1ii—N1—H1B96 (9)
C1—C6—C7120.6 (6)H1A—N1—H1B115 (7)
C6—C7—C8114.3 (8)C9—O1—Ag1103.7 (7)
C6—C7—H7A108.7
C6—C1—C2—C30.0C6—C7—C8—C9177.1 (8)
C1—C2—C3—C40.0N1—C8—C9—O237.7 (15)
C2—C3—C4—C50.0C7—C8—C9—O286.7 (12)
C3—C4—C5—C60.0N1—C8—C9—O1140.9 (11)
C4—C5—C6—C10.0C7—C8—C9—O194.8 (12)
C4—C5—C6—C7174.7 (7)C9—C8—N1—Ag1ii173.2 (8)
C2—C1—C6—C50.0C7—C8—N1—Ag1ii65.8 (11)
C2—C1—C6—C7174.6 (7)O2—C9—O1—Ag115.5 (14)
C5—C6—C7—C872.6 (9)C8—C9—O1—Ag1166.0 (8)
C1—C6—C7—C8112.7 (8)N1i—Ag1—O1—C9149.7 (12)
C6—C7—C8—N159.0 (11)
Symmetry codes: (i) x1, y, z; (ii) x+1, y, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C7—H7A···O2iii0.972.583.490 (13)157
C2—H2···O1iv0.932.543.445 (11)165
N1—H1B···O2v0.86 (6)2.07 (7)2.832 (16)148 (4)
C5—H5···Cg1vi0.932.563.443 (1)159
Symmetry codes: (iii) x, y+1/2, z; (iv) x+1, y+1, z; (v) x, y1/2, z; (vi) x+1, y1/2, z+1.
 

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