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The title compound, aqua­chloro{2,2′-[1,2-ethanediyl­bis­(nitrilo­methyl­idyne)]­diphenolato-κ4O,N,N′,O′}manganese(III),[MnCl(C16H14N2O2)(H2O)], is a neutral manganese(III) complex with a pseudo-octahedral metal centre. The equatorial plane comprises the four donor atoms of the tetradentate Schiff base ligand [Mn—O 1.886 (4) and 1.893 (4) Å, and Mn—N 1.978 (5) and 1.982 (5) Å], with a water mol­ecule [Mn—O 2.383 (4) Å] and a Cl ligand [Mn—Cl 2.4680 (16) Å] completing the coordination sphere. The distorted geometry is highlighted by the marked displacement of the MnIII ion out of the least-squares plane of the four Schiff base donor atoms by 0.165 (2) Å. These monomeric MnIII centres are then linked into a polymeric array via hydrogen bonds between the coordinated water mol­ecule and the phenolic O-atom donors of an adjacent MnIII centre [O—H...O 2.789 (5) and 2.881 (5) Å].

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270102003529/gg1092sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270102003529/gg1092Isup2.hkl
Contains datablock I

CCDC reference: 184479

Computing details top

Data collection: CAD-4-PC Software (Enraf Nonius, 1994); cell refinement: CAD-4-PC Software; data reduction: XCAD4 (Harms & Wocadlo, 1995); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997) and PLUTON in PLATON (Spek, 1998); software used to prepare material for publication: WinGX (Farrugia, 1999).

Aquachloro{2,2'-[1,2-ethanediylbis(nitrilomethylidyne)]diphenolato- κ4O,N,N',O'}manganese(III) top
Crystal data top
[MnCl(C16H14N2O2)(H2O)]F(000) = 384
Mr = 374.7Dx = 1.6 Mg m3
Monoclinic, P21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P2ybCell parameters from 25 reflections
a = 10.418 (4) Åθ = 8.1–13.9°
b = 6.627 (3) ŵ = 1.04 mm1
c = 11.733 (5) ÅT = 160 K
β = 106.29 (2)°Prism, brown
V = 777.5 (6) Å30.3 × 0.2 × 0.1 mm
Z = 2
Data collection top
Enraf Nonius CAD-4
diffractometer
Rint = 0.030
non–profiled ω/2θ scansθmax = 25.0°, θmin = 1.8°
Absorption correction: ψ scan
(North et al., 1968)
h = 1211
Tmin = 0.675, Tmax = 0.902k = 07
1562 measured reflectionsl = 013
1488 independent reflections2 standard reflections every 60 min
1324 reflections with I > 2σ(I) intensity decay: none
Refinement top
Refinement on F2H atoms treated by a mixture of independent and constrained refinement
Least-squares matrix: full w = 1/[σ2(Fo2) + (0.072P)2 + 0.0385P]
where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.037(Δ/σ)max < 0.001
wR(F2) = 0.099Δρmax = 0.44 e Å3
S = 1.04Δρmin = 0.60 e Å3
1488 reflectionsAbsolute structure: Flack (1983)
184 parametersAbsolute structure parameter: 0.01 (4)
1 restraint
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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Mn10.33140 (7)0.87645 (12)0.11213 (6)0.0154 (2)
Cl10.19336 (12)0.9867 (2)0.24060 (11)0.0227 (3)
O10.4891 (3)1.0167 (6)0.1925 (3)0.0186 (8)
O20.2789 (3)1.0717 (6)0.0090 (3)0.0188 (8)
O30.4607 (3)0.7364 (7)0.0068 (3)0.0264 (10)
H160.5390.71410.02650.06*
H170.45510.66650.06540.06*
N10.3900 (4)0.6378 (7)0.2148 (4)0.0164 (9)
N20.1926 (4)0.6858 (8)0.0235 (4)0.0196 (10)
C10.5605 (3)0.9895 (6)0.3075 (2)0.0170 (11)
C20.6450 (3)1.1458 (5)0.3610 (3)0.0255 (13)
H20.6481.26660.31820.031*
C30.7251 (3)1.1253 (5)0.4771 (3)0.0301 (15)
H30.78291.23210.51360.036*
C40.7207 (3)0.9486 (6)0.5396 (2)0.0305 (15)
H40.77540.93460.6190.037*
C50.6362 (4)0.7923 (5)0.4861 (3)0.0261 (13)
H50.63310.67150.52890.031*
C60.5561 (3)0.8127 (5)0.3700 (3)0.0221 (13)
C70.4779 (5)0.6391 (9)0.3174 (4)0.0192 (12)
H70.49220.51680.36140.023*
C80.3216 (6)0.4511 (9)0.1660 (5)0.0238 (13)
H8A0.31970.35630.23070.029*
H8B0.36790.38520.11290.029*
C90.1800 (5)0.5112 (9)0.0968 (5)0.0238 (12)
H9A0.13480.39820.0460.029*
H9B0.1270.54740.15190.029*
C100.1247 (5)0.6997 (9)0.0861 (5)0.0224 (13)
H100.06410.59370.11890.027*
C110.1348 (3)0.8677 (5)0.1631 (3)0.0217 (11)
C120.0649 (3)0.8474 (5)0.2822 (3)0.0270 (14)
H120.01570.72770.30950.032*
C130.0672 (4)1.0021 (7)0.3616 (2)0.0360 (16)
H130.01950.98820.44310.043*
C140.1393 (4)1.1772 (6)0.3218 (3)0.0328 (16)
H140.14081.2830.37610.039*
C150.2091 (4)1.1976 (5)0.2026 (3)0.0274 (14)
H150.25841.31730.17540.033*
C160.2069 (3)1.0428 (6)0.1233 (2)0.0193 (12)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Mn10.0228 (4)0.0134 (4)0.0126 (4)0.0010 (4)0.0090 (3)0.0003 (4)
Cl10.0283 (7)0.0235 (8)0.0213 (7)0.0040 (6)0.0150 (5)0.0020 (6)
N10.027 (2)0.016 (2)0.011 (2)0.0003 (19)0.0146 (18)0.0013 (19)
N20.024 (2)0.020 (3)0.019 (2)0.000 (2)0.0139 (19)0.002 (2)
O10.0226 (17)0.019 (2)0.0148 (17)0.0018 (16)0.0063 (14)0.0000 (16)
O20.0247 (18)0.020 (2)0.0116 (17)0.0044 (16)0.0054 (14)0.0013 (17)
O30.028 (2)0.036 (3)0.0181 (19)0.0046 (19)0.0126 (17)0.0084 (19)
C10.023 (2)0.022 (3)0.011 (2)0.000 (3)0.012 (2)0.001 (3)
C20.028 (3)0.033 (4)0.016 (3)0.004 (3)0.008 (2)0.003 (3)
C30.026 (3)0.038 (4)0.026 (3)0.001 (3)0.008 (2)0.011 (3)
C40.029 (3)0.051 (5)0.016 (3)0.001 (3)0.014 (2)0.001 (3)
C50.027 (3)0.044 (4)0.012 (3)0.008 (3)0.013 (2)0.010 (3)
C60.021 (2)0.035 (4)0.015 (3)0.009 (2)0.013 (2)0.003 (2)
C70.026 (3)0.018 (3)0.021 (3)0.005 (2)0.020 (2)0.004 (2)
C80.041 (3)0.015 (3)0.021 (3)0.002 (2)0.017 (2)0.002 (2)
C90.033 (3)0.016 (3)0.026 (3)0.005 (3)0.015 (2)0.004 (3)
C100.019 (3)0.022 (3)0.029 (3)0.005 (2)0.011 (2)0.007 (3)
C110.016 (2)0.036 (3)0.016 (2)0.001 (3)0.0087 (18)0.004 (3)
C120.026 (3)0.036 (4)0.020 (3)0.003 (3)0.009 (2)0.006 (3)
C130.030 (3)0.061 (5)0.017 (3)0.002 (3)0.006 (2)0.001 (3)
C140.028 (3)0.053 (5)0.019 (3)0.003 (3)0.010 (2)0.011 (3)
C150.023 (3)0.035 (4)0.025 (3)0.001 (3)0.008 (2)0.004 (3)
C160.015 (2)0.032 (3)0.012 (2)0.006 (2)0.006 (2)0.004 (2)
Geometric parameters (Å, º) top
Mn1—Cl12.4680 (16)C5—C61.39
Mn1—O11.893 (4)C5—H50.95
Mn1—O21.886 (4)C6—C71.445 (6)
Mn1—O32.383 (4)C7—H70.95
Mn1—N11.978 (5)C8—C91.524 (8)
Mn1—N21.982 (5)C8—H8A0.99
N1—C71.292 (6)C8—H8B0.99
N1—C81.462 (7)C9—H9A0.99
N2—C101.285 (7)C9—H9B0.99
N2—C91.469 (7)C10—C111.456 (7)
O1—C11.358 (4)C10—H100.95
O2—C161.354 (4)C11—C121.39
O3—H160.814C11—C161.39
O3—H170.817C12—C131.39
C1—C21.39C12—H120.95
C1—C61.39C13—C141.39
C2—C31.39C13—H130.95
C2—H20.95C14—C151.39
C3—C41.39C14—H140.95
C3—H30.95C15—C161.39
C4—C51.39C15—H150.95
C4—H40.95
O1—Mn1—O293.78 (16)C5—C6—C1120
O1—Mn1—O385.92 (15)C5—C6—C7116.9 (3)
O2—Mn1—O385.29 (16)C1—C6—C7122.9 (3)
O1—Mn1—N190.74 (17)N1—C7—C6124.8 (5)
O1—Mn1—N2168.06 (18)N1—C7—H7117.6
O2—Mn1—N1169.17 (17)C6—C7—H7117.6
O2—Mn1—N291.58 (17)N1—C8—C9106.3 (5)
O3—Mn1—N185.22 (16)N1—C8—H8A110.5
O3—Mn1—N283.89 (16)C9—C8—H8A110.5
N1—Mn1—N282.2 (2)N1—C8—H8B110.5
O1—Mn1—Cl197.08 (12)C9—C8—H8B110.5
O2—Mn1—Cl199.30 (12)H8A—C8—H8B108.7
O3—Mn1—Cl1174.31 (12)N2—C9—C8106.6 (4)
N1—Mn1—Cl189.89 (12)N2—C9—H9A110.4
N2—Mn1—Cl192.57 (13)C8—C9—H9A110.4
C7—N1—C8120.7 (5)N2—C9—H9B110.4
C7—N1—Mn1125.4 (4)C8—C9—H9B110.4
C8—N1—Mn1113.9 (3)H9A—C9—H9B108.6
C10—N2—C9121.8 (5)N2—C10—C11124.1 (5)
C10—N2—Mn1126.5 (4)N2—C10—H10118
C9—N2—Mn1111.5 (3)C11—C10—H10118
C1—O1—Mn1125.9 (3)C12—C11—C16120
C16—O2—Mn1127.7 (3)C12—C11—C10116.2 (3)
H16—O3—H1797.3C16—C11—C10123.8 (3)
O1—C1—C2116.8 (3)C13—C12—C11120
O1—C1—C6123.1 (3)C13—C12—H12120
C2—C1—C6120C11—C12—H12120
C3—C2—C1120C14—C13—C12120
C3—C2—H2120C14—C13—H13120
C1—C2—H2120C12—C13—H13120
C4—C3—C2120C15—C14—C13120
C4—C3—H3120C15—C14—H14120
C2—C3—H3120C13—C14—H14120
C3—C4—C5120C16—C15—C14120
C3—C4—H4120C16—C15—H15120
C5—C4—H4120C14—C15—H15120
C6—C5—C4120O2—C16—C15116.8 (3)
C6—C5—H5120O2—C16—C11123.2 (3)
C4—C5—H5120C15—C16—C11120
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O3—H17···O1i0.822.012.789 (5)160
O3—H16···O2i0.812.182.881 (5)145
Symmetry code: (i) x+1, y1/2, z.
 

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