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Volume 68 
Part 1 
Page m45  
January 2012  

Received 7 December 2011
Accepted 7 December 2011
Online 14 December 2011

Key indicators
Single-crystal X-ray study
T = 200 K
Mean [sigma](C-C) = 0.007 Å
R = 0.042
wR = 0.092
Data-to-parameter ratio = 16.4
Details
Open access

cis-Dichloridobis(di-2-pyridylamine-[kappa]2N,N')manganese(II)

aSchool of Applied Chemical Engineering, The Research Institute of Catalysis, Chonnam National University, Gwangju 500-757, Republic of Korea
Correspondence e-mail: hakwang@chonnam.ac.kr

In the title complex, [MnCl2(C10H9N3)2], the MnII ion is six-coordinated in a considerably distorted cis-N4Cl2 octahedral environment defined by four N atoms of two chelating di-2-pyridylamine (dpa) ligands and two Cl- anions. In the crystal, the dpa ligands are not planar, the dihedral angles between the two pyridine rings being 29.3 (2) and 30.9 (2)°. The complex molecules are stacked in columns along the c axis and are connected by intermolecular N-H...Cl hydrogen bonds, forming a three-dimensional network. Weak inter- and intramolecular [pi]-[pi] interactions are present between the pyridine rings, the shortest centroid-centroid distance being 4.406 (3) Å.

Related literature

For the crystal structures of related MnII complexes with dpa, see: Bose et al. (2005[Bose, D., Mostafa, G., Fun, H.-K. & Ghosh, B. K. (2005). Polyhedron, 24, 747-758.]); Ha (2011a[Ha, K. (2011a). Acta Cryst. E67, m1751.],b[Ha, K. (2011b). Acta Cryst. E67, m1773.]).

[Scheme 1]

Experimental

Crystal data
  • [MnCl2(C10H9N3)2]

  • Mr = 468.24

  • Orthorhombic, P n a 21

  • a = 16.236 (3) Å

  • b = 12.542 (2) Å

  • c = 9.9233 (17) Å

  • V = 2020.7 (6) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.94 mm-1

  • T = 200 K

  • 0.31 × 0.28 × 0.19 mm

Data collection
  • Bruker SMART 1000 CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2000[Bruker (2000). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.849, Tmax = 1.000

  • 14151 measured reflections

  • 4293 independent reflections

  • 2982 reflections with I > 2[sigma](I)

  • Rint = 0.072

Refinement
  • R[F2 > 2[sigma](F2)] = 0.042

  • wR(F2) = 0.092

  • S = 1.01

  • 4293 reflections

  • 262 parameters

  • 1 restraint

  • H-atom parameters constrained

  • [Delta][rho]max = 0.51 e Å-3

  • [Delta][rho]min = -0.57 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 1616 Friedel pairs

  • Flack parameter: 0.04 (2)

Table 1
Selected geometric parameters (Å, °)

Mn1-N3 2.276 (3)
Mn1-N1 2.278 (3)
Mn1-N4 2.280 (3)
Mn1-N6 2.353 (3)
Mn1-Cl2 2.4637 (12)
Mn1-Cl1 2.5122 (10)
N3-Mn1-N1 77.32 (13)
N4-Mn1-N6 77.12 (12)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-H2N...Cl2i 0.92 2.30 3.211 (3) 171
N5-H5N...Cl1ii 0.92 2.45 3.355 (4) 170
Symmetry codes: (i) [x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z]; (ii) [-x+{\script{1\over 2}}, y-{\script{1\over 2}}, z-{\script{1\over 2}}].

Data collection: SMART (Bruker, 2000[Bruker (2000). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2000[Bruker (2000). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: ORTEP-3 (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]) and PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2573 ).


Acknowledgements

This work was supported by the Priority Research Centers Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (2010-0029626).

References

Bose, D., Mostafa, G., Fun, H.-K. & Ghosh, B. K. (2005). Polyhedron, 24, 747-758.  [ISI] [CSD] [CrossRef] [ChemPort]
Bruker (2000). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Ha, K. (2011a). Acta Cryst. E67, m1751.  [CrossRef] [details]
Ha, K. (2011b). Acta Cryst. E67, m1773.  [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [details]


Acta Cryst (2012). E68, m45  [ doi:10.1107/S1600536811052834 ]

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