cis-Dichloridobis(di-2-pyridyl­amine-κ2N,N′)manganese(II)

Ha, K.

doi:10.1107/S1600536811052834

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 (C-C) = 0.007 Å
R = 0.042
wR = 0.092
Data-to-parameter ratio = 16.4
Details

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

Kwang Ha ^a ^*

^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 Mn^II 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-HCl 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 Mn^II complexes with dpa, see: Bose et al. (2005); Ha (2011a,b).

Experimental

Crystal data

[MnCl₂(C₁₀H₉N₃)₂]
M_r = 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 radiation
= 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) T_min = 0.849, T_max = 1.000
14151 measured reflections
4293 independent reflections
2982 reflections with I > 2(I)
R_int = 0.072

Refinement

R[F² > 2(F²)] = 0.042
wR(F²) = 0.092
S = 1.01
4293 reflections
262 parameters
1 restraint
H-atom parameters constrained
_max = 0.51 e Å^-3
_min = -0.57 e Å^-3
Absolute structure: Flack (1983), 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-HA	D-H	HA	DA	D-HA
N2-H2NCl2ⁱ	0.92	2.30	3.211 (3)	171
N5-H5NCl1ⁱⁱ	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); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2009); 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.
Bruker (2000). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.
Ha, K. (2011a). Acta Cryst. E67, m1751.
Ha, K. (2011b). Acta Cryst. E67, m1773.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.