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The crystal structure of the title compound, [Co(NO3)(C10H9N3)2]NO3, consists of mononuclear cations and uncoordinated nitrate anions held together by means of an extensive three-dimensional network of N—H...O and C—H...O hydrogen bonds. The CoII centre has a distorted octahedral geometry, coordinated with two O atoms of a bidentate nitrate ligand and with four pyridine N atoms of two bis(2-pyridyl)­amine ligands in a transtrans mode.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536801012909/bt6068sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536801012909/bt6068Isup2.hkl
Contains datablock I

CCDC reference: 172187

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.034
  • wR factor = 0.079
  • Data-to-parameter ratio = 12.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry








Comment top

During our studies of first-row transition metal complexes with N-donor aromatic ligands (Castillo et al., 2001; Castillo et al., 2000), we have obtained the compound [bis(2-pyridyl)amine-N,N'](nitrato-O,O')cobalt(II) nitrate, (I).

Ligands containing aromatic nitrogen heterocycles play an important role in the molecular self-assembling process that leads to supramolecular architectures (Jones, 1998). The crystal structure of (I) comprises discrete [Co(NO3)(C10H9N3)2]+ cations and NO3- anions. The CoII centre is six-coordinated by four pyridinic N atoms of two bis(2-pyridyl)amine moieties and by two O atoms of a bidentate nitrate anion, as shown in Fig. 1. The bidentate bis(2-pyridyl)amine ligands chelate the CoII atom to form two six-membered coordination rings. The Co—N bond distances range from 1.935 (2) to 1.948 (2) Å. The pyridine rings in the same ligand are in the normal trans–trans mode (Du et al., 2001) and the dihedral angles are 27.7 (1) and 37.4 (1)°, respectively. The nitrate ligand is coordinated with two almost equivalent Co—O bond distances, 1.907 (2) and 1.908 (2) Å. The main distortion of the octahedral geometry is due to the small O—Co—O bite angle [69.15 (8)°] of the bidentate nitrate anion. The N—O bond distance involving the uncoordinated O atom of the nitrato ligand is significantly shorter than those for the coordinated O atoms, but is similar to ones of the nitrate anion.

In the crystal structure of (I), the cations and nitrate anions are held together by means of an extensive network of N—H···O and C—H···O hydrogen bonds (Fig. 2).

Experimental top

An aqueous solution (30 ml) of bis(2-pyridyl)amine (0.340 g, 2.0 mmol) was added slowly to an aqueous solution (30 ml) of Co(NO3)2·6H2O (0.290 g, 1.0 mmol) with vigorous stirring. The resulting solution was filtered off to remove impurities and then allowed to stand at room temperature. After two weeks, red crystals were harvested by slow evaporation of the solvent. Crystals were found to be stable to air and X-ray exposure.

Refinement top

H atoms bonded to C atoms were kept fixed at calculated positions with Uiso 20% larger than Ueq for the atoms to which they are attached. H atoms bonded to N atoms were located in difference Fourier maps and refined isotropically.

Computing details top

Data collection: IPDS Software (Stoe & Cie, 1998); cell refinement: IPDS Software; data reduction: IPDS Software; program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: SHELXL93 (Sheldrick, 1993); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Figures top
[Figure 1] Fig. 1. The asymmetric unit of (I) with 50% probability displacements ellipsoids. H atoms have been omitted for clarity.
[Figure 2] Fig. 2. Packing diagram of (I). Dotted lines show hydrogen bonds. H atoms have been omitted for clarity.
[bis(2-pyridyl)amine-N,N'](nitrato-O,O')cobalt(II) nitrate top
Crystal data top
[Co(NO3)(C10H9N3)2]NO3F(000) = 1076
Mr = 525.35Dx = 1.611 Mg m3
Dm = 1.62 (1) Mg m3
Dm measured by flotation in a mixture of carbon tetrachloride and bromoform
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 14084 reflections
a = 17.191 (3) Åθ = 2.5–25.8°
b = 7.308 (1) ŵ = 0.85 mm1
c = 17.843 (5) ÅT = 293 K
β = 104.94 (3)°Irregular, red
V = 2165.9 (8) Å30.42 × 0.20 × 0.08 mm
Z = 4
Data collection top
Stoe IPDS
diffractometer
2598 reflections with I > 2σ(I)
Radiation source: x-ray tubeRint = 0.048
area detection scansθmax = 25.8°, θmin = 2.5°
Absorption correction: numerical
(Stoe & Cie, 1998)
h = 2120
Tmin = 0.815, Tmax = 0.934k = 88
14084 measured reflectionsl = 2121
4037 independent reflections
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullH atoms treated by a mixture of independent and constrained refinement
R[F2 > 2σ(F2)] = 0.034 w = 1/[σ2(Fo2) + (0.0787P)2]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.079(Δ/σ)max = 0.002
S = 1.04Δρmax = 0.37 e Å3
4037 reflectionsΔρmin = 0.52 e Å3
324 parameters
Crystal data top
[Co(NO3)(C10H9N3)2]NO3V = 2165.9 (8) Å3
Mr = 525.35Z = 4
Monoclinic, P21/nMo Kα radiation
a = 17.191 (3) ŵ = 0.85 mm1
b = 7.308 (1) ÅT = 293 K
c = 17.843 (5) Å0.42 × 0.20 × 0.08 mm
β = 104.94 (3)°
Data collection top
Stoe IPDS
diffractometer
4037 independent reflections
Absorption correction: numerical
(Stoe & Cie, 1998)
2598 reflections with I > 2σ(I)
Tmin = 0.815, Tmax = 0.934Rint = 0.048
14084 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0340 restraints
wR(F2) = 0.079H atoms treated by a mixture of independent and constrained refinement
S = 1.04Δρmax = 0.37 e Å3
4037 reflectionsΔρmin = 0.52 e Å3
324 parameters
Special details top

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All e.s.d.'s are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles

Refinement. Refinement on F2 for ALL reflections except for 0 with very negative F2 or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 > σ(F2) is used only for calculating _refine_ls_R_factor_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
Co10.20807 (2)0.99836 (6)0.01758 (2)0.0231 (1)
O10.2401 (1)1.2047 (3)0.0839 (1)0.0302 (6)
O20.1241 (1)1.1759 (3)0.0011 (1)0.0296 (6)
O30.1475 (1)1.4308 (3)0.0765 (2)0.0323 (9)
N10.1688 (2)1.2848 (5)0.0557 (2)0.0330 (11)
N110.1649 (1)0.8898 (3)0.0972 (1)0.0269 (8)
N170.0453 (1)0.8077 (3)0.0059 (1)0.0290 (8)
N190.1497 (1)0.8211 (3)0.0577 (1)0.0261 (7)
N210.3049 (1)0.8520 (3)0.0485 (1)0.0261 (8)
N270.3826 (1)1.1069 (4)0.0343 (1)0.0297 (9)
N290.2556 (1)1.1244 (3)0.0551 (1)0.0255 (8)
C120.2081 (2)0.8977 (5)0.1727 (2)0.0368 (10)
C130.1765 (2)0.8552 (5)0.2326 (2)0.0473 (13)
C140.0959 (2)0.8044 (5)0.2165 (2)0.0470 (13)
C150.0516 (2)0.7920 (5)0.1415 (2)0.0381 (10)
C160.0886 (2)0.8306 (4)0.0820 (2)0.0284 (9)
C180.0741 (2)0.7710 (4)0.0574 (2)0.0266 (9)
C220.3014 (2)0.6730 (4)0.0668 (2)0.0306 (10)
C230.3682 (2)0.5742 (5)0.1019 (2)0.0357 (10)
C240.4425 (2)0.6627 (5)0.1216 (2)0.0370 (10)
C250.4471 (2)0.8403 (5)0.1008 (2)0.0362 (10)
C260.3775 (2)0.9325 (4)0.0612 (2)0.0258 (9)
C280.3323 (1)1.1815 (4)0.0317 (2)0.0257 (9)
C1100.1778 (2)0.7693 (4)0.1193 (2)0.0331 (10)
C1110.1311 (2)0.6805 (5)0.1822 (2)0.0401 (11)
C1120.0522 (2)0.6377 (5)0.1830 (2)0.0459 (13)
C1130.0239 (2)0.6816 (5)0.1205 (2)0.0398 (10)
C2100.2102 (2)1.1864 (5)0.1250 (2)0.0333 (10)
C2110.2393 (2)1.3035 (5)0.1703 (2)0.0404 (10)
C2120.3161 (2)1.3741 (5)0.1421 (2)0.0408 (11)
C2130.3628 (2)1.3141 (4)0.0724 (2)0.0339 (10)
O40.5396 (2)0.2615 (5)0.0725 (2)0.0773 (12)
O50.5563 (2)0.2595 (5)0.1949 (2)0.0912 (14)
O60.6385 (2)0.1193 (5)0.1469 (2)0.0789 (13)
N20.5787 (1)0.2134 (4)0.1384 (2)0.0421 (10)
H120.2620.9340.1840.044*
H130.2080.8600.2840.057*
H140.0720.7790.2570.056*
H150.0020.7590.1300.046*
H170.000 (2)0.784 (4)0.001 (2)0.027 (7)*
H220.2520.6150.0550.037*
H230.3640.4500.1120.043*
H240.4880.6010.1490.044*
H250.4970.9000.1130.043*
H270.429 (2)1.151 (5)0.045 (2)0.043 (9)*
H1100.2310.7960.1180.040*
H1110.1520.6490.2240.048*
H1120.0190.5800.2260.055*
H1130.0290.6520.1200.048*
H2100.1571.1470.1420.040*
H2110.2081.3360.2190.049*
H2120.3361.4620.1700.049*
H2130.4141.3610.0520.041*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0168 (2)0.0257 (2)0.0270 (2)0.0020 (2)0.0059 (1)0.0018 (2)
O10.020 (1)0.034 (1)0.036 (1)0.006 (1)0.006 (1)0.008 (1)
O20.019 (1)0.029 (1)0.039 (1)0.002 (1)0.004 (1)0.004 (1)
O30.027 (1)0.025 (2)0.045 (2)0.000 (1)0.005 (1)0.002 (1)
N10.024 (2)0.032 (2)0.043 (2)0.010 (2)0.005 (1)0.001 (2)
N110.022 (1)0.031 (2)0.028 (1)0.001 (1)0.008 (1)0.002 (1)
N170.016 (1)0.037 (2)0.035 (1)0.005 (1)0.008 (1)0.004 (1)
N190.024 (1)0.027 (2)0.028 (1)0.001 (1)0.008 (1)0.002 (1)
N210.022 (1)0.028 (2)0.029 (1)0.001 (1)0.007 (1)0.001 (1)
N270.018 (1)0.032 (2)0.037 (1)0.005 (1)0.003 (1)0.003 (1)
N290.021 (1)0.026 (2)0.030 (1)0.001 (1)0.007 (1)0.002 (1)
C120.031 (2)0.048 (2)0.030 (2)0.001 (1)0.005 (1)0.003 (1)
C130.049 (2)0.065 (3)0.028 (2)0.001 (2)0.011 (1)0.000 (2)
C140.054 (2)0.058 (3)0.037 (2)0.008 (2)0.025 (2)0.001 (2)
C150.032 (2)0.042 (2)0.045 (2)0.008 (1)0.020 (1)0.004 (2)
C160.026 (1)0.024 (2)0.036 (2)0.000 (1)0.010 (1)0.001 (1)
C180.023 (1)0.024 (2)0.032 (1)0.001 (1)0.005 (1)0.002 (1)
C220.027 (1)0.029 (2)0.037 (2)0.005 (1)0.010 (1)0.001 (1)
C230.041 (2)0.030 (2)0.039 (2)0.003 (1)0.015 (1)0.003 (1)
C240.031 (2)0.039 (2)0.040 (2)0.010 (1)0.006 (1)0.009 (1)
C250.023 (1)0.039 (2)0.044 (2)0.000 (1)0.003 (1)0.003 (1)
C260.024 (1)0.026 (2)0.028 (1)0.002 (1)0.008 (1)0.002 (1)
C280.021 (1)0.027 (2)0.030 (1)0.001 (1)0.009 (1)0.002 (1)
C1100.033 (2)0.033 (2)0.036 (2)0.001 (1)0.015 (1)0.002 (1)
C1110.050 (2)0.037 (2)0.034 (2)0.002 (2)0.013 (1)0.003 (1)
C1120.050 (2)0.046 (3)0.036 (2)0.011 (2)0.000 (1)0.012 (2)
C1130.030 (2)0.045 (2)0.041 (2)0.009 (1)0.005 (1)0.004 (2)
C2100.026 (1)0.038 (2)0.033 (2)0.002 (1)0.001 (1)0.002 (1)
C2110.047 (2)0.042 (2)0.030 (2)0.004 (2)0.007 (1)0.007 (1)
C2120.049 (2)0.037 (2)0.041 (2)0.002 (2)0.018 (1)0.010 (2)
C2130.029 (1)0.033 (2)0.047 (2)0.005 (1)0.014 (1)0.001 (1)
O40.052 (2)0.106 (3)0.059 (2)0.028 (2)0.013 (1)0.032 (2)
O50.081 (2)0.130 (3)0.077 (2)0.042 (2)0.047 (2)0.018 (2)
O60.059 (2)0.102 (3)0.070 (2)0.035 (2)0.006 (1)0.020 (2)
N20.027 (1)0.048 (2)0.049 (2)0.011 (1)0.005 (1)0.001 (1)
Geometric parameters (Å, º) top
Co1—O11.909 (2)C15—C161.399 (4)
Co1—O21.907 (2)C18—C1131.392 (4)
Co1—N111.935 (2)C22—C231.365 (4)
Co1—N191.947 (2)C23—C241.393 (4)
Co1—N211.935 (2)C24—C251.358 (5)
Co1—N291.935 (2)C25—C261.396 (4)
O1—N11.335 (4)C28—C2131.392 (4)
O2—N11.337 (4)C110—C1111.364 (4)
O3—N11.216 (4)C111—C1121.390 (5)
O4—N21.246 (4)C112—C1131.363 (4)
O5—N21.215 (4)C12—H120.93
O6—N21.213 (4)C13—H130.93
N11—C161.341 (3)C14—H140.93
N11—C121.361 (3)C15—H150.93
N17—C161.379 (3)C22—H220.93
N17—C181.373 (3)C23—H230.93
N19—C181.351 (3)C24—H240.93
N19—C1101.364 (4)C25—H250.93
N21—C221.353 (4)C210—C2111.359 (5)
N21—C261.346 (3)C110—H1100.93
N27—C261.373 (4)C211—C2121.386 (5)
N27—C281.381 (4)C111—H1110.93
N29—C2101.366 (4)C212—C2131.367 (4)
N29—C281.343 (3)C112—H1120.93
N17—H170.78 (3)C113—H1130.93
N27—H270.84 (3)C210—H2100.93
C12—C131.354 (4)C211—H2110.93
C13—C141.390 (5)C212—H2120.93
C14—C151.362 (4)C213—H2130.93
O1—Co1—O269.15 (9)N21—C22—C23122.5 (3)
O1—Co1—N1188.41 (9)C22—C23—C24118.6 (3)
O1—Co1—N19165.50 (9)C23—C24—C25119.3 (3)
O1—Co1—N2199.81 (9)C24—C25—C26119.8 (3)
O1—Co1—N2986.31 (9)N27—C26—C25120.1 (3)
O2—Co1—N1188.49 (9)N21—C26—N27119.1 (2)
O2—Co1—N1996.38 (9)N21—C26—C25120.8 (3)
O2—Co1—N21168.95 (9)N27—C28—N29119.4 (2)
O2—Co1—N2990.37 (9)N27—C28—C213118.9 (2)
N11—Co1—N1990.37 (9)N29—C28—C213121.7 (2)
N11—Co1—N2191.61 (9)N19—C110—C111122.7 (3)
N11—Co1—N29174.66 (9)C110—C111—C112118.7 (3)
N19—Co1—N2194.67 (9)N11—C12—H12119
N19—Co1—N2994.94 (9)C13—C12—H12119
N21—Co1—N2988.51 (9)C111—C112—C113119.5 (3)
Co1—O1—N191.29 (18)C12—C13—H13121
Co1—O2—N191.28 (17)C18—C113—C112119.6 (3)
O1—N1—O2108.3 (3)C14—C13—H13121
O1—N1—O3126.1 (3)C15—C14—H14120
O2—N1—O3125.6 (3)C13—C14—H14120
Co1—N11—C12119.65 (19)C16—C15—H15121
Co1—N11—C16121.58 (18)C14—C15—H15121
C12—N11—C16118.0 (2)C23—C22—H22119
C16—N17—C18128.0 (2)N21—C22—H22119
Co1—N19—C18120.2 (2)C22—C23—H23121
Co1—N19—C110120.9 (2)C24—C23—H23121
C18—N19—C110117.9 (2)C25—C24—H24120
Co1—N21—C22121.0 (2)C23—C24—H24120
Co1—N21—C26119.9 (2)C26—C25—H25120
C22—N21—C26118.6 (2)C24—C25—H25120
C26—N27—C28125.7 (3)N29—C210—C211122.7 (3)
Co1—N29—C28119.3 (2)N19—C110—H110119
Co1—N29—C210121.9 (2)C111—C110—H110119
C28—N29—C210117.7 (2)C112—C111—H111121
C18—N17—H17113 (2)C210—C211—C212118.7 (3)
C16—N17—H17117 (2)C110—C111—H111121
C26—N27—H27115 (2)C113—C112—H112120
C28—N27—H27113 (2)C211—C212—C213119.5 (3)
O4—N2—O6120.7 (3)C111—C112—H112120
O4—N2—O5119.7 (3)C28—C213—C212119.1 (3)
O5—N2—O6119.6 (3)C18—C113—H113120
N11—C12—C13122.9 (3)C112—C113—H113120
C12—C13—C14118.6 (3)N29—C210—H210119
C13—C14—C15119.7 (3)C211—C210—H210119
C14—C15—C16119.0 (3)C212—C211—H211121
N17—C16—C15119.1 (2)C210—C211—H211121
N11—C16—C15121.5 (2)C211—C212—H212120
N11—C16—N17119.4 (2)C213—C212—H212120
N19—C18—C113121.4 (2)C28—C213—H213120
N17—C18—C113118.5 (2)C212—C213—H213121
N17—C18—N19120.1 (2)
O2—Co1—O1—N10.81 (16)Co1—N11—C16—C15165.0 (2)
N11—Co1—O1—N188.18 (17)C12—N11—C16—N17175.0 (3)
N21—Co1—O1—N1179.55 (17)C12—N11—C16—C155.2 (4)
N29—Co1—O1—N192.61 (17)C18—N17—C16—N1126.6 (4)
O1—Co1—O2—N10.80 (16)C18—N17—C16—C15153.6 (3)
N11—Co1—O2—N188.07 (17)C16—N17—C18—N1925.7 (4)
N19—Co1—O2—N1178.27 (17)C16—N17—C18—C113154.2 (3)
N29—Co1—O2—N186.72 (17)Co1—N19—C18—N1716.0 (3)
O1—Co1—N11—C1243.5 (2)Co1—N19—C18—C113164.1 (2)
O1—Co1—N11—C16126.5 (2)C110—N19—C18—N17175.1 (2)
O2—Co1—N11—C12112.7 (2)C110—N19—C18—C1134.8 (4)
O2—Co1—N11—C1657.3 (2)Co1—N19—C110—C111164.4 (2)
N19—Co1—N11—C12150.9 (2)C18—N19—C110—C1114.4 (4)
N19—Co1—N11—C1639.1 (2)Co1—N21—C22—C23168.0 (2)
N21—Co1—N11—C1256.3 (2)C26—N21—C22—C234.1 (4)
N21—Co1—N11—C16133.8 (2)Co1—N21—C26—N2715.8 (3)
O2—Co1—N19—C1849.1 (2)Co1—N21—C26—C25164.6 (2)
O2—Co1—N19—C110119.4 (2)C22—N21—C26—N27172.1 (2)
N11—Co1—N19—C1839.4 (2)C22—N21—C26—C257.6 (4)
N11—Co1—N19—C110152.1 (2)C28—N27—C26—N2131.7 (4)
N21—Co1—N19—C18131.0 (2)C28—N27—C26—C25148.0 (3)
N21—Co1—N19—C11060.4 (2)C26—N27—C28—N2930.2 (4)
N29—Co1—N19—C18140.1 (2)C26—N27—C28—C213149.6 (3)
N29—Co1—N19—C11028.5 (2)Co1—N29—C28—N2718.4 (3)
O1—Co1—N21—C22130.6 (2)Co1—N29—C28—C213161.8 (2)
O1—Co1—N21—C2641.3 (2)C210—N29—C28—N27173.1 (3)
N11—Co1—N21—C2241.9 (2)C210—N29—C28—C2136.8 (4)
N11—Co1—N21—C26130.0 (2)Co1—N29—C210—C211167.5 (3)
N19—Co1—N21—C2248.6 (2)C28—N29—C210—C2110.8 (5)
N19—Co1—N21—C26139.5 (2)N11—C12—C13—C141.2 (5)
N29—Co1—N21—C22143.4 (2)C12—C13—C14—C152.4 (5)
N29—Co1—N21—C2644.7 (2)C13—C14—C15—C160.1 (6)
O1—Co1—N29—C2854.1 (2)C14—C15—C16—N114.0 (5)
O1—Co1—N29—C210113.9 (2)C14—C15—C16—N17176.2 (3)
O2—Co1—N29—C28123.2 (2)N17—C18—C113—C112177.6 (3)
O2—Co1—N29—C21044.9 (2)N19—C18—C113—C1122.3 (5)
N19—Co1—N29—C28140.4 (2)N21—C22—C23—C241.9 (4)
N19—Co1—N29—C21051.6 (2)C22—C23—C24—C254.5 (4)
N21—Co1—N29—C2845.8 (2)C23—C24—C25—C261.1 (4)
N21—Co1—N29—C210146.1 (2)C24—C25—C26—N27174.6 (3)
Co1—O1—N1—O21.1 (2)C24—C25—C26—N215.1 (4)
Co1—O1—N1—O3178.2 (3)N29—C28—C213—C2126.9 (4)
Co1—O2—N1—O11.1 (2)N27—C28—C213—C212173.0 (3)
Co1—O2—N1—O3178.2 (3)N29—C210—C211—C2125.1 (5)
Co1—N11—C12—C13167.8 (3)C210—C211—C212—C2134.9 (5)
C16—N11—C12—C132.6 (5)C211—C212—C213—C280.8 (5)
Co1—N11—C16—N1714.8 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N17—H17···O2i0.78 (3)2.15 (3)2.884 (3)157 (3)
N27—H27···O4ii0.84 (3)2.00 (3)2.842 (4)179 (3)
C13—H13···O1iii0.932.573.400 (4)149
C14—H14···O5iv0.932.573.404 (5)148
C22—H22···O3v0.932.353.224 (4)157
C110—H110···O6vi0.932.513.418 (4)167
C113—H113···O3i0.932.443.343 (4)163
C211—H211···O6vii0.932.403.324 (4)171
Symmetry codes: (i) x, y+2, z; (ii) x, y+1, z; (iii) x+1/2, y1/2, z+1/2; (iv) x+1/2, y+1/2, z+1/2; (v) x, y1, z; (vi) x+1, y+1, z; (vii) x1/2, y+3/2, z1/2.

Experimental details

Crystal data
Chemical formula[Co(NO3)(C10H9N3)2]NO3
Mr525.35
Crystal system, space groupMonoclinic, P21/n
Temperature (K)293
a, b, c (Å)17.191 (3), 7.308 (1), 17.843 (5)
β (°) 104.94 (3)
V3)2165.9 (8)
Z4
Radiation typeMo Kα
µ (mm1)0.85
Crystal size (mm)0.42 × 0.20 × 0.08
Data collection
DiffractometerStoe IPDS
diffractometer
Absorption correctionNumerical
(Stoe & Cie, 1998)
Tmin, Tmax0.815, 0.934
No. of measured, independent and
observed [I > 2σ(I)] reflections
14084, 4037, 2598
Rint0.048
(sin θ/λ)max1)0.613
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.034, 0.079, 1.04
No. of reflections4037
No. of parameters324
H-atom treatmentH atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å3)0.37, 0.52

Computer programs: IPDS Software (Stoe & Cie, 1998), IPDS Software, SIR92 (Altomare et al., 1993), SHELXL93 (Sheldrick, 1993), ORTEP-3 (Farrugia, 1997), WinGX (Farrugia, 1999).

Selected geometric parameters (Å, º) top
Co1—O11.909 (2)O1—N11.335 (4)
Co1—O21.907 (2)O2—N11.337 (4)
Co1—N111.935 (2)O3—N11.216 (4)
Co1—N191.947 (2)O4—N21.246 (4)
Co1—N211.935 (2)O5—N21.215 (4)
Co1—N291.935 (2)O6—N21.213 (4)
O1—Co1—O269.15 (9)N11—Co1—N29174.66 (9)
O1—Co1—N1188.41 (9)N19—Co1—N2194.67 (9)
O1—Co1—N19165.50 (9)N19—Co1—N2994.94 (9)
O1—Co1—N2199.81 (9)N21—Co1—N2988.51 (9)
O1—Co1—N2986.31 (9)O1—N1—O2108.3 (3)
O2—Co1—N1188.49 (9)O1—N1—O3126.1 (3)
O2—Co1—N1996.38 (9)O2—N1—O3125.6 (3)
O2—Co1—N21168.95 (9)O4—N2—O6120.7 (3)
O2—Co1—N2990.37 (9)O4—N2—O5119.7 (3)
N11—Co1—N1990.37 (9)O5—N2—O6119.6 (3)
N11—Co1—N2191.61 (9)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N17—H17···O2i0.78 (3)2.15 (3)2.884 (3)157 (3)
N27—H27···O4ii0.84 (3)2.00 (3)2.842 (4)179 (3)
C13—H13···O1iii0.932.573.400 (4)149
C14—H14···O5iv0.932.573.404 (5)148
C22—H22···O3v0.932.353.224 (4)157
C110—H110···O6vi0.932.513.418 (4)167
C113—H113···O3i0.932.443.343 (4)163
C211—H211···O6vii0.932.403.324 (4)171
Symmetry codes: (i) x, y+2, z; (ii) x, y+1, z; (iii) x+1/2, y1/2, z+1/2; (iv) x+1/2, y+1/2, z+1/2; (v) x, y1, z; (vi) x+1, y+1, z; (vii) x1/2, y+3/2, z1/2.
 

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