Related literature
For a related structure, see: Zhang et al. (2008).
Experimental
Data collection
Bruker APEX CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) Tmin = 0.54, Tmax = 0.83 7782 measured reflections 2847 independent reflections 2390 reflections with I > 2σ(I) Rint = 0.024
|
Ag1—N3i | 2.139 (2) | Ag1—N2 | 2.1444 (19) | Ag1—O1Wii | 2.6799 (17) | | N3i—Ag1—N2 | 172.70 (7) | N3i—Ag1—O1Wii | 92.88 (6) | N2—Ag1—O1Wii | 90.84 (6) | Symmetry codes: (i) x-1, y, z-1; (ii) . | |
D—H⋯A | D—H | H⋯A | D⋯A | D—H⋯A | N1—H1A⋯O2Wiii | 0.85 (4) | 2.34 (2) | 3.160 (5) | 163 | N1—H1B⋯O2iv | 0.85 (4) | 2.10 (4) | 2.932 (4) | 167 | O1W—HW11⋯O1 | 0.85 (3) | 1.91 (3) | 2.747 (2) | 172 (3) | O1W—HW12⋯O4 | 0.83 (3) | 2.15 (3) | 2.927 (3) | 154 (3) | O2W—HW21⋯O1 | 0.85 (3) | 2.14 (3) | 2.979 (4) | 169 (3) | O2W—HW22⋯O5v | 0.86 (3) | 2.30 (2) | 3.084 (3) | 151 | O2W—HW22⋯O5vi | 0.86 (3) | 2.30 (2) | 3.084 (3) | 151 | O2W—HW22⋯N4v | 0.86 (3) | 2.63 (3) | 3.476 (4) | 167 | Symmetry codes: (iii) x+1, y, z+1; (iv) x+1, y, z; (v) x-1, y, z; (vi) . | |
Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.
Supporting information
A mixture of AgNO3 (1 mmol), NaOH (0.040 g, 1 mmol) and 4-aminobenzoic acid (1 mmol) in water (15 ml) was stirred for 10 min at room temperature. Then 4,4'-bipyridine (1 mmol) was added to the solution with stirring for 30 min and a white precipitate was obtained. The precipitate was dissolved by dropwise addition of ammonia (5 M). Single crystals were obtained by slow evaporation of the solution at room temperature.
All H atoms on C atoms were positioned geometrically (C—H = 0.93 Å) and refined as riding, with Uiso(H) = 1.2Ueq(carrier). The amino and water H atoms were located in a difference Fourier map, and were refined with a distance restraints of N—H = O—H = 0.85 Å.
Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).
catena-Poly[[[aquasilver(I)]-µ-4,4'-bipyridine-
κ2N:
N')] 4-aminobenzoate nitrate hydrate]
top Crystal data top 2[Ag(C10H8N2)(H2O)](C7H6NO2)(NO3)·H2O | F(000) = 780 |
Mr = 780.29 | Dx = 1.871 Mg m−3 |
Monoclinic, P21/m | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yb | Cell parameters from 2847 reflections |
a = 8.2595 (4) Å | θ = 2.1–26.1° |
b = 17.3531 (8) Å | µ = 1.48 mm−1 |
c = 9.9267 (4) Å | T = 293 K |
β = 103.231 (1)° | Block, colourless |
V = 1385.01 (11) Å3 | 0.24 × 0.21 × 0.17 mm |
Z = 2 | |
Data collection top Bruker APEX CCD area-detector diffractometer | 2847 independent reflections |
Radiation source: fine-focus sealed tube | 2390 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.024 |
ϕ and ω scans | θmax = 26.1°, θmin = 2.1° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −10→7 |
Tmin = 0.54, Tmax = 0.83 | k = −21→17 |
7782 measured reflections | l = −12→12 |
Refinement top 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)] = 0.023 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.059 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.07 | w = 1/[σ2(Fo2) + (0.0284P)2 + 0.2523P] where P = (Fo2 + 2Fc2)/3 |
2847 reflections | (Δ/σ)max = 0.003 |
230 parameters | Δρmax = 0.34 e Å−3 |
8 restraints | Δρmin = −0.38 e Å−3 |
Crystal data top 2[Ag(C10H8N2)(H2O)](C7H6NO2)(NO3)·H2O | V = 1385.01 (11) Å3 |
Mr = 780.29 | Z = 2 |
Monoclinic, P21/m | Mo Kα radiation |
a = 8.2595 (4) Å | µ = 1.48 mm−1 |
b = 17.3531 (8) Å | T = 293 K |
c = 9.9267 (4) Å | 0.24 × 0.21 × 0.17 mm |
β = 103.231 (1)° | |
Data collection top Bruker APEX CCD area-detector diffractometer | 2847 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 2390 reflections with I > 2σ(I) |
Tmin = 0.54, Tmax = 0.83 | Rint = 0.024 |
7782 measured reflections | |
Refinement top R[F2 > 2σ(F2)] = 0.023 | 8 restraints |
wR(F2) = 0.059 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.07 | Δρmax = 0.34 e Å−3 |
2847 reflections | Δρmin = −0.38 e Å−3 |
230 parameters | |
Special details top Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 | x | y | z | Uiso*/Ueq | |
C1 | 0.9046 (4) | 0.7500 | 0.9999 (4) | 0.0234 (8) | |
C2 | 0.7795 (4) | 0.7500 | 1.0736 (4) | 0.0216 (7) | |
H2 | 0.8082 | 0.7500 | 1.1698 | 0.026* | |
C3 | 0.6139 (4) | 0.7500 | 1.0056 (4) | 0.0201 (7) | |
H3 | 0.5331 | 0.7500 | 1.0573 | 0.024* | |
C4 | 0.5645 (4) | 0.7500 | 0.8621 (3) | 0.0198 (7) | |
C5 | 0.6902 (4) | 0.7500 | 0.7886 (4) | 0.0215 (7) | |
H5 | 0.6610 | 0.7500 | 0.6924 | 0.026* | |
C6 | 0.8556 (4) | 0.7500 | 0.8547 (4) | 0.0240 (8) | |
H6 | 0.9361 | 0.7500 | 0.8027 | 0.029* | |
C7 | 0.3820 (4) | 0.7500 | 0.7909 (3) | 0.0198 (7) | |
C8 | 0.6051 (3) | 0.95341 (14) | 0.7979 (2) | 0.0211 (5) | |
H8 | 0.5907 | 0.9099 | 0.7417 | 0.025* | |
C9 | 0.7206 (3) | 0.95076 (14) | 0.9219 (2) | 0.0203 (5) | |
H9 | 0.7822 | 0.9061 | 0.9477 | 0.024* | |
C10 | 0.7458 (3) | 1.01485 (13) | 1.0091 (2) | 0.0156 (5) | |
C11 | 0.6492 (3) | 1.07948 (14) | 0.9627 (2) | 0.0204 (5) | |
H11 | 0.6611 | 1.1238 | 1.0166 | 0.025* | |
C12 | 0.5365 (3) | 1.07780 (14) | 0.8371 (2) | 0.0219 (5) | |
H12 | 0.4739 | 1.1218 | 0.8082 | 0.026* | |
C13 | 1.0736 (3) | 0.94885 (15) | 1.3175 (2) | 0.0235 (5) | |
H13 | 1.1264 | 0.9031 | 1.3512 | 0.028* | |
C14 | 0.9522 (3) | 0.94648 (14) | 1.1975 (2) | 0.0238 (5) | |
H14 | 0.9241 | 0.8998 | 1.1523 | 0.029* | |
C15 | 0.8700 (3) | 1.01438 (13) | 1.1424 (2) | 0.0172 (5) | |
C16 | 0.9155 (3) | 1.08119 (14) | 1.2193 (2) | 0.0210 (5) | |
H16 | 0.8627 | 1.1276 | 1.1897 | 0.025* | |
C17 | 1.0384 (3) | 1.07876 (14) | 1.3392 (2) | 0.0231 (5) | |
H17 | 1.0664 | 1.1243 | 1.3883 | 0.028* | |
N1 | 1.0689 (4) | 0.7500 | 1.0676 (4) | 0.0366 (8) | |
N2 | 0.5122 (2) | 1.01603 (11) | 0.7543 (2) | 0.0180 (4) | |
N3 | 1.1201 (2) | 1.01423 (11) | 1.3889 (2) | 0.0206 (4) | |
N4 | 0.6731 (4) | 0.7500 | 0.3860 (3) | 0.0293 (7) | |
O1 | 0.3438 (3) | 0.7500 | 0.6599 (3) | 0.0305 (6) | |
O2 | 0.2780 (3) | 0.7500 | 0.8655 (2) | 0.0234 (5) | |
O1W | 0.4203 (2) | 0.62838 (10) | 0.50869 (19) | 0.0327 (4) | |
O2W | 0.0951 (4) | 0.7500 | 0.3901 (3) | 0.0499 (8) | |
O4 | 0.5190 (3) | 0.7500 | 0.3396 (3) | 0.0365 (7) | |
O5 | 0.7501 (3) | 0.68814 (12) | 0.4064 (2) | 0.0511 (6) | |
Ag1 | 0.32721 (2) | 1.014048 (12) | 0.563502 (18) | 0.02456 (8) | |
H1A | 1.099 (5) | 0.7500 | 1.155 (2) | 0.046 (14)* | |
H1B | 1.143 (4) | 0.7500 | 1.021 (4) | 0.044 (13)* | |
HW11 | 0.400 (4) | 0.6633 (16) | 0.562 (3) | 0.065* | |
HW12 | 0.448 (4) | 0.6508 (18) | 0.443 (2) | 0.065* | |
HW21 | 0.154 (4) | 0.7500 | 0.472 (3) | 0.065* | |
HW22 | −0.004 (3) | 0.7500 | 0.404 (4) | 0.065* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
C1 | 0.0206 (18) | 0.0152 (18) | 0.035 (2) | 0.000 | 0.0080 (15) | 0.000 |
C2 | 0.0238 (18) | 0.0190 (18) | 0.0225 (18) | 0.000 | 0.0064 (14) | 0.000 |
C3 | 0.0230 (18) | 0.0137 (17) | 0.0254 (18) | 0.000 | 0.0093 (14) | 0.000 |
C4 | 0.0234 (18) | 0.0109 (17) | 0.0267 (19) | 0.000 | 0.0089 (15) | 0.000 |
C5 | 0.032 (2) | 0.0118 (17) | 0.0234 (18) | 0.000 | 0.0116 (15) | 0.000 |
C6 | 0.0270 (19) | 0.0154 (18) | 0.034 (2) | 0.000 | 0.0171 (16) | 0.000 |
C7 | 0.0244 (18) | 0.0092 (16) | 0.0246 (19) | 0.000 | 0.0033 (15) | 0.000 |
C8 | 0.0243 (13) | 0.0189 (13) | 0.0175 (12) | 0.0005 (10) | −0.0003 (10) | −0.0022 (10) |
C9 | 0.0244 (13) | 0.0145 (12) | 0.0187 (12) | 0.0019 (10) | −0.0022 (10) | 0.0011 (10) |
C10 | 0.0140 (11) | 0.0174 (12) | 0.0146 (11) | −0.0019 (9) | 0.0012 (9) | 0.0016 (9) |
C11 | 0.0233 (13) | 0.0156 (12) | 0.0194 (12) | 0.0004 (9) | −0.0013 (10) | −0.0031 (9) |
C12 | 0.0222 (12) | 0.0192 (13) | 0.0208 (12) | 0.0054 (10) | −0.0027 (10) | 0.0010 (10) |
C13 | 0.0256 (13) | 0.0180 (13) | 0.0228 (13) | 0.0017 (10) | −0.0030 (10) | 0.0021 (10) |
C14 | 0.0274 (13) | 0.0177 (13) | 0.0211 (12) | 0.0012 (10) | −0.0051 (10) | −0.0023 (10) |
C15 | 0.0140 (11) | 0.0198 (12) | 0.0166 (12) | −0.0008 (9) | 0.0007 (9) | 0.0013 (9) |
C16 | 0.0205 (12) | 0.0180 (13) | 0.0207 (12) | 0.0017 (10) | −0.0034 (10) | −0.0013 (10) |
C17 | 0.0256 (13) | 0.0179 (13) | 0.0217 (13) | −0.0005 (10) | −0.0031 (10) | −0.0025 (10) |
N1 | 0.0192 (17) | 0.051 (2) | 0.039 (2) | 0.000 | 0.0064 (17) | 0.000 |
N2 | 0.0179 (10) | 0.0195 (10) | 0.0145 (10) | −0.0001 (8) | −0.0007 (8) | 0.0017 (8) |
N3 | 0.0199 (10) | 0.0223 (11) | 0.0161 (10) | −0.0004 (9) | −0.0029 (8) | −0.0005 (8) |
N4 | 0.0349 (19) | 0.035 (2) | 0.0175 (15) | 0.000 | 0.0045 (14) | 0.000 |
O1 | 0.0278 (14) | 0.0388 (16) | 0.0232 (14) | 0.000 | 0.0024 (11) | 0.000 |
O2 | 0.0211 (13) | 0.0210 (13) | 0.0287 (14) | 0.000 | 0.0071 (11) | 0.000 |
O1W | 0.0407 (12) | 0.0278 (11) | 0.0273 (11) | −0.0025 (9) | 0.0030 (9) | 0.0029 (8) |
O2W | 0.0302 (16) | 0.062 (2) | 0.051 (2) | 0.000 | −0.0047 (14) | 0.000 |
O4 | 0.0275 (15) | 0.0436 (17) | 0.0352 (16) | 0.000 | 0.0005 (12) | 0.000 |
O5 | 0.0491 (13) | 0.0414 (14) | 0.0585 (14) | 0.0149 (11) | 0.0034 (11) | 0.0173 (11) |
Ag1 | 0.02136 (12) | 0.03052 (13) | 0.01619 (11) | 0.00025 (8) | −0.00732 (8) | −0.00028 (8) |
Geometric parameters (Å, º) top Ag1—N3i | 2.139 (2) | C17—H17 | 0.9300 |
Ag1—N2 | 2.1444 (19) | O1—C7 | 1.266 (4) |
Ag1—O1Wii | 2.6799 (17) | O2—C7 | 1.255 (4) |
N2—C12 | 1.337 (3) | N1—C1 | 1.369 (4) |
N2—C8 | 1.344 (3) | N1—H1A | 0.85 (4) |
N3—C17 | 1.342 (3) | N1—H1B | 0.85 (4) |
N3—C13 | 1.346 (3) | C1—C2 | 1.396 (5) |
N3—Ag1iii | 2.139 (2) | C1—C6 | 1.405 (5) |
C8—C9 | 1.374 (3) | C2—C3 | 1.380 (4) |
C8—H8 | 0.9300 | C2—H2 | 0.9300 |
C9—C10 | 1.396 (3) | C3—C4 | 1.389 (5) |
C9—H9 | 0.9300 | C3—H3 | 0.9300 |
C10—C11 | 1.392 (3) | C4—C5 | 1.399 (4) |
C10—C15 | 1.477 (3) | C4—C7 | 1.511 (4) |
C11—C12 | 1.375 (3) | C5—C6 | 1.373 (5) |
C11—H11 | 0.9300 | C5—H5 | 0.9300 |
C12—H12 | 0.9300 | C6—H6 | 0.9300 |
C13—C14 | 1.371 (3) | O4—N4 | 1.251 (4) |
C13—H13 | 0.9300 | O5—N4 | 1.240 (2) |
C14—C15 | 1.407 (3) | N4—O5ii | 1.240 (2) |
C14—H14 | 0.9300 | O1W—HW11 | 0.85 (2) |
C15—C16 | 1.392 (3) | O1W—HW12 | 0.85 (2) |
C16—C17 | 1.377 (3) | O2W—HW21 | 0.85 (2) |
C16—H16 | 0.9300 | O2W—HW22 | 0.85 (2) |
| | | |
N3i—Ag1—N2 | 172.70 (7) | C17—C16—H16 | 120.0 |
N3i—Ag1—O1Wii | 92.88 (6) | C15—C16—H16 | 120.0 |
N2—Ag1—O1Wii | 90.84 (6) | N3—C17—C16 | 123.6 (2) |
C12—N2—C8 | 117.1 (2) | N3—C17—H17 | 118.2 |
C12—N2—Ag1 | 122.13 (15) | C16—C17—H17 | 118.2 |
C8—N2—Ag1 | 120.71 (16) | C1—N1—H1A | 122 (3) |
C17—N3—C13 | 116.8 (2) | C1—N1—H1B | 119 (3) |
C17—N3—Ag1iii | 122.74 (16) | H1A—N1—H1B | 119 (3) |
C13—N3—Ag1iii | 120.27 (16) | N1—C1—C2 | 120.8 (3) |
N2—C8—C9 | 122.9 (2) | N1—C1—C6 | 121.6 (3) |
N2—C8—H8 | 118.5 | C2—C1—C6 | 117.6 (3) |
C9—C8—H8 | 118.5 | C3—C2—C1 | 120.9 (3) |
C8—C9—C10 | 120.2 (2) | C3—C2—H2 | 119.5 |
C8—C9—H9 | 119.9 | C1—C2—H2 | 119.5 |
C10—C9—H9 | 119.9 | C2—C3—C4 | 121.8 (3) |
C11—C10—C9 | 116.4 (2) | C2—C3—H3 | 119.1 |
C11—C10—C15 | 121.9 (2) | C4—C3—H3 | 119.1 |
C9—C10—C15 | 121.7 (2) | C3—C4—C5 | 117.1 (3) |
C12—C11—C10 | 120.1 (2) | C3—C4—C7 | 120.4 (3) |
C12—C11—H11 | 120.0 | C5—C4—C7 | 122.5 (3) |
C10—C11—H11 | 120.0 | C6—C5—C4 | 121.8 (3) |
N2—C12—C11 | 123.3 (2) | C6—C5—H5 | 119.1 |
N2—C12—H12 | 118.3 | C4—C5—H5 | 119.1 |
C11—C12—H12 | 118.3 | C5—C6—C1 | 120.8 (3) |
N3—C13—C14 | 123.1 (2) | C5—C6—H6 | 119.6 |
N3—C13—H13 | 118.4 | C1—C6—H6 | 119.6 |
C14—C13—H13 | 118.4 | O2—C7—O1 | 124.2 (3) |
C13—C14—C15 | 120.3 (2) | O2—C7—C4 | 117.9 (3) |
C13—C14—H14 | 119.8 | O1—C7—C4 | 117.9 (3) |
C15—C14—H14 | 119.8 | O5—N4—O5ii | 119.9 (3) |
C16—C15—C14 | 116.1 (2) | O5—N4—O4 | 120.02 (16) |
C16—C15—C10 | 122.1 (2) | O5ii—N4—O4 | 120.02 (16) |
C14—C15—C10 | 121.8 (2) | HW11—O1W—HW12 | 107 (3) |
C17—C16—C15 | 120.1 (2) | HW21—O2W—HW22 | 102 (3) |
| | | |
N3i—Ag1—N2—C12 | −61.6 (6) | C9—C10—C15—C14 | −9.2 (4) |
N3i—Ag1—N2—C8 | 116.0 (6) | C14—C15—C16—C17 | 2.1 (4) |
C12—N2—C8—C9 | 0.4 (3) | C10—C15—C16—C17 | −176.4 (2) |
Ag1—N2—C8—C9 | −177.37 (18) | C13—N3—C17—C16 | −1.8 (4) |
N2—C8—C9—C10 | 0.0 (4) | Ag1iii—N3—C17—C16 | 173.52 (19) |
C8—C9—C10—C11 | −0.3 (3) | C15—C16—C17—N3 | −0.1 (4) |
C8—C9—C10—C15 | −179.3 (2) | N1—C1—C2—C3 | 180.000 (2) |
C9—C10—C11—C12 | 0.1 (3) | C6—C1—C2—C3 | 0.000 (2) |
C15—C10—C11—C12 | 179.2 (2) | C1—C2—C3—C4 | 0.000 (2) |
C8—N2—C12—C11 | −0.6 (4) | C2—C3—C4—C5 | 0.000 (2) |
Ag1—N2—C12—C11 | 177.15 (18) | C2—C3—C4—C7 | 180.000 (2) |
C10—C11—C12—N2 | 0.3 (4) | C3—C4—C5—C6 | 0.000 (2) |
C17—N3—C13—C14 | 1.6 (4) | C7—C4—C5—C6 | 180.000 (1) |
Ag1iii—N3—C13—C14 | −173.80 (19) | C4—C5—C6—C1 | 0.000 (2) |
N3—C13—C14—C15 | 0.4 (4) | N1—C1—C6—C5 | 180.000 (2) |
C13—C14—C15—C16 | −2.3 (4) | C2—C1—C6—C5 | 0.000 (2) |
C13—C14—C15—C10 | 176.3 (2) | C3—C4—C7—O2 | 0.000 (1) |
C11—C10—C15—C16 | −9.7 (4) | C5—C4—C7—O2 | 180.000 (1) |
C9—C10—C15—C16 | 169.3 (2) | C3—C4—C7—O1 | 180.000 (1) |
C11—C10—C15—C14 | 171.8 (2) | C5—C4—C7—O1 | 0.000 (1) |
Symmetry codes: (i) x−1, y, z−1; (ii) x, −y+3/2, z; (iii) x+1, y, z+1. |
Hydrogen-bond geometry (Å, º) top D—H···A | D—H | H···A | D···A | D—H···A |
N1—H1A···O2Wiii | 0.85 (4) | 2.34 (2) | 3.160 (5) | 163 |
N1—H1B···O2iv | 0.85 (4) | 2.10 (4) | 2.932 (4) | 167 |
O1W—HW11···O1 | 0.85 (3) | 1.91 (3) | 2.747 (2) | 172 (3) |
O1W—HW12···O4 | 0.83 (3) | 2.15 (3) | 2.927 (3) | 154 (3) |
O2W—HW21···O1 | 0.85 (3) | 2.14 (3) | 2.979 (4) | 169 (3) |
O2W—HW22···O5v | 0.86 (3) | 2.30 (2) | 3.084 (3) | 151 |
O2W—HW22···O5vi | 0.86 (3) | 2.30 (2) | 3.084 (3) | 151 |
O2W—HW22···N4v | 0.86 (3) | 2.63 (3) | 3.476 (4) | 167 |
Symmetry codes: (iii) x+1, y, z+1; (iv) x+1, y, z; (v) x−1, y, z; (vi) x−1, −y+3/2, z. |
Experimental details
Crystal data |
Chemical formula | 2[Ag(C10H8N2)(H2O)](C7H6NO2)(NO3)·H2O |
Mr | 780.29 |
Crystal system, space group | Monoclinic, P21/m |
Temperature (K) | 293 |
a, b, c (Å) | 8.2595 (4), 17.3531 (8), 9.9267 (4) |
β (°) | 103.231 (1) |
V (Å3) | 1385.01 (11) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 1.48 |
Crystal size (mm) | 0.24 × 0.21 × 0.17 |
|
Data collection |
Diffractometer | Bruker APEX CCD area-detector diffractometer |
Absorption correction | Multi-scan (SADABS; Sheldrick, 1996) |
Tmin, Tmax | 0.54, 0.83 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 7782, 2847, 2390 |
Rint | 0.024 |
(sin θ/λ)max (Å−1) | 0.619 |
|
Refinement |
R[F2 > 2σ(F2)], wR(F2), S | 0.023, 0.059, 1.07 |
No. of reflections | 2847 |
No. of parameters | 230 |
No. of restraints | 8 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.34, −0.38 |
Selected geometric parameters (Å, º) topAg1—N3i | 2.139 (2) | Ag1—O1Wii | 2.6799 (17) |
Ag1—N2 | 2.1444 (19) | | |
| | | |
N3i—Ag1—N2 | 172.70 (7) | N2—Ag1—O1Wii | 90.84 (6) |
N3i—Ag1—O1Wii | 92.88 (6) | | |
Symmetry codes: (i) x−1, y, z−1; (ii) x, −y+3/2, z. |
Hydrogen-bond geometry (Å, º) top D—H···A | D—H | H···A | D···A | D—H···A |
N1—H1A···O2Wiii | 0.85 (4) | 2.34 (2) | 3.160 (5) | 162.6 |
N1—H1B···O2iv | 0.85 (4) | 2.10 (4) | 2.932 (4) | 166.5 |
O1W—HW11···O1 | 0.85 (3) | 1.91 (3) | 2.747 (2) | 172 (3) |
O1W—HW12···O4 | 0.83 (3) | 2.15 (3) | 2.927 (3) | 154 (3) |
O2W—HW21···O1 | 0.85 (3) | 2.14 (3) | 2.979 (4) | 169 (3) |
O2W—HW22···O5v | 0.86 (3) | 2.30 (2) | 3.084 (3) | 151 |
O2W—HW22···O5vi | 0.86 (3) | 2.30 (2) | 3.084 (3) | 151 |
O2W—HW22···N4v | 0.86 (3) | 2.63 (3) | 3.476 (4) | 167 |
Symmetry codes: (iii) x+1, y, z+1; (iv) x+1, y, z; (v) x−1, y, z; (vi) x−1, −y+3/2, z. |
Acknowledgements
The authors thank Anshan Normal University for support.
References
Bruker (1998). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Zhang, Y.-M., Hou, D.-Y., Li, T.-C. & Xin, G. (2008). Acta Cryst. E64, m224. Web of Science CSD CrossRef IUCr Journals Google Scholar
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| CRYSTALLOGRAPHIC COMMUNICATIONS |
ISSN: 2056-9890
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access
Silver coordination polymers have received intense interests because of their interesting structural features and potential applications (Zhang et al., 2008). We report here the synthesis and structure of the title compound, [Ag2(C10H8N2)2(H2O)2].(C7H6NO2).NO3.H2O, (I).
In the crystal structure of compound (I), the AgI atom is three-coordinated by two nitrogen atoms from two symmetry-related bipy (bipy = 4,4'-bipyridine) ligands and one water water molecule in a T-shaped coordination configuration (Fig. 1). Each bipy ligand bridges two neighboring AgI atoms to form a chain structure along [101]. Further, L anions (L = 4-aminobenzoate), the nitrate anion, and the uncoordinated water molecule form N—H···O and O—H···O hydrogen bonds, stabilizing the structure of (I).