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The title compound, [MnCl2(C10H8N2)]n, crystallizes with a two-dimensional network constructed from linear chains of edge-sharing MnCl4 square-planar units cross-linked by bidentate 4,4'-bipyridine bridges. The Mn atom and the bipyridine moieties lie on sites with 222 crystallographic symmetry; the Cl atom lies on a twofold axis. The bipyridine molecule is twisted about the central C-C bond by 33.5 (3)°.
Supporting information
CCDC reference: 146038
Data collection: XPRESS (MacScience, 1989); cell refinement: DENZO-SMN; data reduction: DENZO-SMN (Otwinowski & Minor, 1996); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: CRYSTALS (Watkin et al., 1996); molecular graphics: ATOMS for Windows (Dowty, 1997); software used to prepare material for publication: CRYSTALS.
4,4'-bipyridinedichloromanganese(II)
top
Crystal data top
[MnCl2(C10H8N2)] | Dx = 1.83 Mg m−3 |
Mr = 282.04 | Melting point: not measured K |
Orthorhombic, Pban | Mo Kα radiation, λ = 0.71069 Å |
Hall symbol: P 2ab 2b | Cell parameters from 2342 reflections |
a = 11.641 (2) Å | θ = 0–26.6° |
b = 11.955 (2) Å | µ = 1.73 mm−1 |
c = 3.678 (1) Å | T = 150 K |
V = 511.86 Å3 | Block, pale green |
Z = 2 | 0.4 × 0.2 × 0.2 mm |
F(000) = 282 | |
Data collection top
Enraf-Nonius DIP2000 image plate diffractometer | 527 reflections with I > 0 |
Graphite monochromator | Rint = 0.024 |
ω scans | θmax = 26.6°, θmin = 0.0° |
Absorption correction: multi-scan (DENZO-SMN; Otwinowski & Minor, 1996) | h = 0→14 |
Tmin = 0.501, Tmax = 0.708 | k = 0→14 |
2342 measured reflections | l = 0→4 |
527 independent reflections | |
Refinement top
Refinement on Fsq | Hydrogen site location: geometric |
Least-squares matrix: full | All H-atom parameters refined |
R[F2 > 2σ(F2)] = 0.033 | Chebychev polynomial with 3 parameters (294, 403, 112; Carruthers & Watkin,
1979) |
wR(F2) = 0.038 | (Δ/σ)max < 0.001 |
527 reflections | Δρmax = 0.38 e Å−3 |
45 parameters | Δρmin = −0.79 e Å−3 |
Primary atom site location: direct methods | |
Special details top
Refinement. The structure was solved by direct methods and all non-H atoms were located. H
atoms were subsequently located in difference Fourier maps and their
coordinates and isotropic displacements parameters refined. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Mn1 | 1/4 | 1/4 | 1/2 | 0.0126 (2) | |
Cl1 | 1/4 | 0.10195 (5) | 0 | 0.0110 (2) | |
N1 | 0.05442 (16) | 1/4 | 1/2 | 0.0116 (6) | |
C1 | −0.00556 (11) | 0.15809 (13) | 0.5908 (4) | 0.0137 (5) | |
C2 | −0.12424 (11) | 0.15419 (12) | 0.5927 (5) | 0.0131 (5) | |
C3 | −0.18619 (19) | 1/4 | 1/2 | 0.0103 (6) | |
H1 | 0.0390 (15) | 0.0960 (14) | 0.659 (5) | 0.011 (4)* | |
H2 | −0.1643 (16) | 0.0874 (15) | 0.662 (5) | 0.016 (4)* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Mn1 | 0.0092 (3) | 0.0133 (3) | 0.0154 (3) | 0 | 0 | 0 |
Cl1 | 0.0112 (3) | 0.0102 (3) | 0.0115 (2) | 0 | −0.00081 (14) | 0 |
N1 | 0.0079 (9) | 0.0130 (9) | 0.0140 (10) | 0 | 0 | −0.0024 (6) |
C1 | 0.0101 (7) | 0.0125 (7) | 0.0185 (7) | 0.0007 (5) | −0.0019 (6) | 0.0005 (7) |
C2 | 0.0106 (8) | 0.0119 (7) | 0.0167 (8) | −0.0011 (6) | −0.0010 (6) | 0.0019 (7) |
C3 | 0.0087 (11) | 0.0147 (11) | 0.0075 (11) | 0 | 0 | −0.0003 (6) |
Geometric parameters (Å, º) top
Mn1—Cl1 | 2.5523 (4) | N1—C1iii | 1.3441 (18) |
Mn1—Cl1i | 2.5523 (4) | C1—C2 | 1.3823 (19) |
Mn1—Cl1ii | 2.5523 (4) | C1—H1 | 0.94 (2) |
Mn1—Cl1iii | 2.5523 (4) | C2—C3 | 1.3958 (18) |
Mn1—N1 | 2.2768 (19) | C2—H2 | 0.96 (2) |
Mn1—N1iv | 2.2768 (19) | C3—C3v | 1.486 (4) |
N1—C1 | 1.3441 (18) | | |
| | | |
Cl1—Mn1—Cl1i | 92.194 (18) | N1—Mn1—N1iv | 180 |
Cl1—Mn1—Cl1ii | 87.806 (18) | Mn1vi—Cl1—Mn1 | 92.194 (18) |
Cl1i—Mn1—Cl1ii | 180 | Mn1—N1—C1 | 121.30 (9) |
Cl1—Mn1—Cl1iii | 180 | Mn1—N1—C1iii | 121.30 (9) |
Cl1i—Mn1—Cl1iii | 87.806 (18) | C1—N1—C1iii | 117.40 (18) |
Cl1ii—Mn1—Cl1iii | 92.194 (18) | N1—C1—C2 | 123.23 (14) |
Cl1—Mn1—N1 | 90 | N1—C1—H1 | 115.2 (10) |
Cl1i—Mn1—N1 | 90 | C2—C1—H1 | 121.6 (12) |
Cl1ii—Mn1—N1 | 90 | C1—C2—C3 | 119.18 (16) |
Cl1iii—Mn1—N1 | 90 | C1—C2—H2 | 121.0 (11) |
Cl1—Mn1—N1iv | 90 | C3—C2—H2 | 119.8 (11) |
Cl1i—Mn1—N1iv | 90 | C2—C3—C2iii | 117.7 (19) |
Cl1ii—Mn1—N1iv | 90 | C2—C3—C3v | 121.1 (1) |
Cl1iii—Mn1—N1iv | 90 | C2iii—C3—C3v | 121.1 (1) |
Symmetry codes: (i) x, y, z+1; (ii) x, −y+1/2, −z; (iii) x, −y+1/2, −z+1; (iv) −x+1/2, y, −z+1; (v) −x−1/2, y, −z+1; (vi) x, y, z−1. |
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