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The crystal structure of the title compound, [Mn(NO3)(C10H8N2)(H2O)3]NO3, contains a monomeric [Mn(NO3)(bpy)(H2O)3]+ cation (bpy is 2,2'-bi­pyridine) and a nitrate anion. The MnII ion is coordinated by one chelating bpy [Mn-N 2.241 (3) and 2.259 (3) Å], three water mol­ecules [Mn-O 2.120 (3)-2.188 (3) Å] and a nitrate ligand [Mn-O 2.228 (2) Å] in a distorted octahedral geometry. There are O...H-O hydrogen-bonding interactions between the ligated water mol­ecules and the ligated and unligated nitrate anions, resulting in double columns of stacked cations and anions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270102003876/ta1358sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270102003876/ta1358Isup2.hkl
Contains datablock I

CCDC reference: 184483

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1994); data reduction: XPREP in SHELXTL (Siemens, 1994); program(s) used to solve structure: SHELXTL (Siemens, 1994); program(s) used to refine structure: SHELXTL (Siemens, 1994); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL (Bruker, 1997).

Triaqua(2,2'-bipyridine-κ2N,N')(nitrato-κO)manganese(II) nitrate top
Crystal data top
[Mn(C10H8N2)(NO3)(H2O)3]NO3F(000) = 796
Mr = 389.19Dx = 1.661 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 11.5797 (5) ÅCell parameters from 2683 reflections
b = 9.5007 (4) Åθ = 1.9–25.1°
c = 14.8683 (6) ŵ = 0.90 mm1
β = 107.899 (1)°T = 293 K
V = 1556.57 (11) Å3Block, yellow
Z = 40.42 × 0.34 × 0.24 mm
Data collection top
Siemens SMART CCD area-detector
diffractometer
2708 independent reflections
Radiation source: fine-focus sealed tube2032 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.021
ω scanθmax = 25.1°, θmin = 1.9°
Absorption correction: empirical (using intensity measurements)
(SADABS; Sheldrick, 1996)
h = 813
Tmin = 0.615, Tmax = 0.805k = 611
5036 measured reflectionsl = 1717
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)] = 0.039Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.135H atoms treated by a mixture of independent and constrained refinement
S = 0.93 w = 1/[σ2(Fo2) + (0.1P)2]
where P = (Fo2 + 2Fc2)/3
2708 reflections(Δ/σ)max < 0.001
241 parametersΔρmax = 0.33 e Å3
5 restraintsΔρmin = 0.32 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
Mn0.80984 (4)0.23694 (5)0.10385 (3)0.0429 (2)
N10.6118 (2)0.2602 (2)0.0256 (2)0.0457 (6)
N20.7091 (3)0.0821 (3)0.16762 (18)0.0480 (6)
N30.7852 (2)0.4354 (3)0.2657 (2)0.0522 (7)
N41.0614 (3)0.2572 (3)0.4320 (2)0.0561 (8)
C10.5695 (3)0.3469 (4)0.0475 (3)0.0596 (9)
H1A0.62490.39700.06880.072*
C20.4480 (3)0.3659 (4)0.0930 (3)0.0665 (10)
H2A0.42190.42730.14390.080*
C30.3672 (4)0.2931 (4)0.0619 (3)0.0710 (11)
H3A0.28440.30490.09100.085*
C40.4083 (3)0.2012 (4)0.0131 (3)0.0631 (9)
H4A0.35360.15000.03470.076*
C50.5327 (3)0.1862 (3)0.0559 (2)0.0455 (7)
C60.5863 (3)0.0874 (3)0.1355 (2)0.0474 (7)
C70.5164 (4)0.0042 (4)0.1746 (3)0.0648 (10)
H7A0.43220.00890.15220.078*
C80.5726 (4)0.0851 (4)0.2467 (3)0.0769 (12)
H8A0.52630.14160.27350.092*
C90.6967 (5)0.0922 (4)0.2800 (3)0.0744 (12)
H9A0.73590.15280.32900.089*
C100.7615 (4)0.0062 (4)0.2382 (2)0.0620 (10)
H10A0.84580.00990.26020.074*
O10.8308 (3)0.0874 (3)0.0011 (2)0.0808 (9)
H1B0.862 (4)0.010 (3)0.020 (3)0.074 (14)*
H1C0.819 (5)0.092 (6)0.0575 (15)0.12 (2)*
O20.9859 (3)0.1927 (4)0.1960 (2)0.0757 (8)
H2B1.003 (6)0.210 (6)0.258 (5)0.14 (2)*
H2C1.045 (3)0.144 (5)0.190 (4)0.12 (2)*
O30.8581 (3)0.4001 (3)0.0179 (2)0.0617 (7)
H3B0.890 (4)0.474 (3)0.046 (3)0.097 (16)*
H3C0.899 (5)0.365 (7)0.014 (4)0.16 (3)*
O40.8093 (2)0.4291 (2)0.18970 (17)0.0637 (7)
O50.7428 (4)0.3354 (3)0.2940 (2)0.1069 (12)
O60.8012 (3)0.5451 (3)0.3116 (2)0.0857 (9)
O71.1102 (4)0.2705 (4)0.5173 (3)0.1172 (14)
O81.0666 (4)0.3509 (4)0.3786 (2)0.1095 (12)
O91.0110 (3)0.1466 (3)0.4010 (2)0.0830 (9)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Mn0.0379 (3)0.0473 (3)0.0421 (3)0.00061 (19)0.0104 (2)0.00210 (19)
N10.0402 (14)0.0476 (14)0.0474 (15)0.0016 (11)0.0106 (12)0.0009 (11)
N20.0585 (18)0.0443 (14)0.0419 (14)0.0019 (12)0.0165 (13)0.0045 (11)
N30.0464 (16)0.0539 (17)0.0547 (17)0.0004 (13)0.0133 (13)0.0127 (14)
N40.0430 (16)0.066 (2)0.060 (2)0.0004 (13)0.0169 (14)0.0034 (16)
C10.048 (2)0.062 (2)0.065 (2)0.0017 (17)0.0108 (17)0.0124 (18)
C20.051 (2)0.076 (2)0.066 (2)0.0092 (19)0.0075 (18)0.0068 (19)
C30.042 (2)0.083 (3)0.079 (3)0.008 (2)0.0072 (19)0.003 (2)
C40.046 (2)0.072 (2)0.074 (3)0.0072 (18)0.0209 (18)0.011 (2)
C50.0447 (18)0.0436 (16)0.0493 (18)0.0040 (14)0.0160 (15)0.0141 (14)
C60.054 (2)0.0436 (16)0.0494 (18)0.0066 (14)0.0229 (15)0.0113 (13)
C70.073 (3)0.059 (2)0.073 (2)0.0084 (19)0.039 (2)0.0025 (19)
C80.098 (4)0.067 (2)0.082 (3)0.009 (2)0.051 (3)0.007 (2)
C90.116 (4)0.058 (2)0.051 (2)0.003 (2)0.027 (2)0.0087 (17)
C100.077 (3)0.0529 (19)0.050 (2)0.0050 (18)0.0115 (19)0.0008 (16)
O10.109 (3)0.0703 (19)0.0646 (19)0.0142 (17)0.0287 (18)0.0180 (16)
O20.0518 (16)0.103 (2)0.0607 (18)0.0250 (16)0.0004 (13)0.0150 (16)
O30.0674 (17)0.0561 (15)0.0717 (17)0.0122 (13)0.0361 (14)0.0068 (13)
O40.0801 (18)0.0662 (15)0.0500 (14)0.0054 (12)0.0277 (13)0.0108 (11)
O50.170 (4)0.0701 (19)0.111 (3)0.038 (2)0.087 (3)0.0273 (18)
O60.110 (2)0.0755 (18)0.085 (2)0.0271 (16)0.0494 (18)0.0439 (16)
O70.119 (3)0.165 (4)0.065 (2)0.035 (2)0.024 (2)0.021 (2)
O80.117 (3)0.094 (2)0.102 (2)0.032 (2)0.011 (2)0.030 (2)
O90.097 (2)0.0676 (17)0.0755 (19)0.0011 (16)0.0140 (16)0.0071 (15)
Geometric parameters (Å, º) top
Mn—O12.153 (3)C3—C41.381 (6)
Mn—O22.120 (3)C3—H3A0.9300
Mn—O32.188 (3)C4—C51.391 (5)
Mn—O42.228 (2)C4—H4A0.9300
Mn—N12.241 (3)C5—C61.489 (5)
Mn—N22.259 (3)C6—C71.381 (5)
N1—C11.332 (4)C7—C81.365 (6)
N1—C51.337 (4)C7—H7A0.9300
N2—C101.334 (4)C8—C91.370 (6)
N2—C61.354 (4)C8—H8A0.9300
N3—O51.202 (4)C9—C101.380 (5)
N3—O61.228 (4)C9—H9A0.9300
N3—O41.246 (3)C10—H10A0.9300
N4—O81.206 (4)O1—H1B0.827 (19)
N4—O91.222 (4)O1—H1C0.84 (2)
N4—O71.227 (4)O2—H2B0.90 (7)
C1—C21.372 (5)O2—H2C0.85 (2)
C1—H1A0.9300O3—H3B0.84 (4)
C2—C31.354 (5)O3—H3C0.84 (6)
C2—H2A0.9300
O2—Mn—O191.82 (13)C2—C3—H3A120.1
O2—Mn—O398.65 (13)C4—C3—H3A120.1
O1—Mn—O387.04 (13)C3—C4—C5119.0 (4)
O2—Mn—O487.93 (11)C3—C4—H4A120.5
O1—Mn—O4165.33 (12)C5—C4—H4A120.5
O3—Mn—O478.50 (10)N1—C5—C4120.8 (3)
O2—Mn—N1169.30 (12)N1—C5—C6115.9 (3)
O1—Mn—N190.99 (12)C4—C5—C6123.2 (3)
O3—Mn—N191.81 (10)N2—C6—C7121.2 (3)
O4—Mn—N191.95 (10)N2—C6—C5116.1 (3)
O2—Mn—N296.76 (12)C7—C6—C5122.7 (3)
O1—Mn—N293.05 (12)C8—C7—C6119.1 (4)
O3—Mn—N2164.58 (11)C8—C7—H7A120.4
O4—Mn—N2101.55 (9)C6—C7—H7A120.4
N1—Mn—N272.77 (10)C7—C8—C9120.5 (4)
C1—N1—C5118.8 (3)C7—C8—H8A119.7
C1—N1—Mn123.1 (2)C9—C8—H8A119.7
C5—N1—Mn118.1 (2)C8—C9—C10117.6 (4)
C10—N2—C6118.4 (3)C8—C9—H9A121.2
C10—N2—Mn124.8 (2)C10—C9—H9A121.2
C6—N2—Mn116.7 (2)N2—C10—C9123.2 (4)
O5—N3—O6119.0 (3)N2—C10—H10A118.4
O5—N3—O4120.5 (3)C9—C10—H10A118.4
O6—N3—O4120.4 (3)Mn—O1—H1B118 (3)
O8—N4—O9120.1 (3)Mn—O1—H1C133 (4)
O8—N4—O7120.3 (4)H1B—O1—H1C109 (5)
O9—N4—O7119.5 (3)Mn—O2—H2B119 (4)
N1—C1—C2123.2 (3)Mn—O2—H2C133 (4)
N1—C1—H1A118.4H2B—O2—H2C106 (5)
C2—C1—H1A118.4Mn—O3—H3B117 (3)
C3—C2—C1118.4 (4)Mn—O3—H3C110 (5)
C3—C2—H2A120.8H3B—O3—H3C112 (6)
C1—C2—H2A120.8N3—O4—Mn126.9 (2)
C2—C3—C4119.7 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1—H1B···O8i0.83 (2)2.12 (2)2.890 (5)156 (4)
O2—H2C···O6i0.85 (2)2.02 (2)2.868 (4)173 (5)
O3—H3C···O9ii0.84 (6)2.07 (3)2.870 (4)159 (7)
O3—H3B···O9iii0.84 (4)2.02 (2)2.848 (4)169 (5)
Symmetry codes: (i) x+2, y1/2, z+1/2; (ii) x, y+1/2, z1/2; (iii) x+2, y+1/2, z+1/2.
 

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