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Volume 69 
Part 2 
Pages m119-m120  
February 2013  

Received 22 December 2012
Accepted 15 January 2013
Online 19 January 2013

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.003 Å
R = 0.037
wR = 0.089
Data-to-parameter ratio = 17.3
Details
Open access

catena-Poly[[[(2,2'-bipyridine-[kappa]2N,N')manganese(II)]-[mu]-(2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolato)-[kappa]4O1,O6:O3,O4] ethanol disolvate]

aDepartment of Chemistry, Faculty of Science, Fukuoka University, Nanakuma, Jonan-ku, Fukuoka 814-0180, Japan,bDepartment of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan, and cDepartment of Chemistry, Graduate School of Science and Technology, Kumamoto University, Kurokami, Kumamoto 860-8555, Japan
Correspondence e-mail: kawata@fukuoka-u.ac.jp

The asymmetric unit of the title coordination polymer, {[Mn(C6Cl2O4)(C10H8N2)]·2C2H5OH}n, consists of one MnII ion, one 2,2'-bipyridine (bpy) ligand, one chloranilate (CA2-) ligand and two ethanol solvent molecules. The MnII ion is octahedrally coordinated by two N atoms of one bpy ligand and four O atoms of two chloranilate ions. The chloranilate ion serves as a bridging ligand between the MnII ions, leading to an infinite zigzag chain along [101]. [pi]-[pi] stacking interactions [centroid-centroid distance = 4.098 (2) Å] is observed between the pyridine rings of adjacent chains. The ethanol molecules act as accepters as well as donors for O-H...O hydrogen bonds, and form a hydrogen-bonded chain along the a axis. The H atoms of the hydroxy groups of the two independent ethanol molecules are each disordered over two sites with equal occupancies.

Related literature

For related structures, see: Nagayoshi et al. (2003[Nagayoshi, K., Kabir, M. K., Tobita, H., Honda, K., Kawahara, M., Katada, M., Adachi, K., Nishikawa, H., Ikemoto, I., Kumagai, H., Hosokoshi, Y., Inoue, K., Kitagawa, S. & Kawata, S. (2003). J. Am. Chem. Soc. 125, 221-232.]); Decurtins et al. (1996[Decurtins, S., Schmalle, H. W., Zheng, L.-M. & Ensling, J. (1996). Inorg. Chim. Acta, 244, 165-170.]); Deguenon et al. (1990[Deguenon, D., Bernardinelli, G., Tuchagues, J.-P. & Castan, J.-P. (1990). Inorg. Chem. 29, 3031-3037.]); Kabir et al. (2001[Kabir, M. K., Kawahara, M., Kumagai, H., Adachi, K., Kawata, S., Ishii, T. & Kitagawa, S. (2001). Polyhedron, 20, 1417-1422.]); Zheng et al. (1996[Zheng, L.-M., Schmalle, H. W., Huber, R. & Decurtins, S. (1996). Polyhedron, 15, 4399-4405.]).

[Scheme 1]

Experimental

Crystal data
  • [Mn(C6Cl2O4)(C10H8N2)]·2C2H6O

  • Mr = 510.22

  • Monoclinic, P 21 /n

  • a = 8.3130 (15) Å

  • b = 20.866 (4) Å

  • c = 12.513 (2) Å

  • [beta] = 97.665 (2)°

  • V = 2151.2 (7) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.90 mm-1

  • T = 100 K

  • 0.40 × 0.10 × 0.05 mm

Data collection
  • Rigaku Saturn724 diffractometer

  • Absorption correction: multi-scan (REQAB; Rigaku, 1998[Rigaku (1998). REQAB. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.897, Tmax = 0.956

  • 24503 measured reflections

  • 4903 independent reflections

  • 4526 reflections with I > 2[sigma](I)

  • Rint = 0.028

Refinement
  • R[F2 > 2[sigma](F2)] = 0.037

  • wR(F2) = 0.089

  • S = 1.10

  • 4903 reflections

  • 284 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.99 e Å-3

  • [Delta][rho]min = -0.57 e Å-3

Table 1
Selected bond lengths (Å)

Mn1-O1 2.1796 (14)
Mn1-O2 2.1546 (14)
Mn1-O3i 2.1511 (14)
Mn1-O4i 2.1782 (14)
Mn1-N1 2.2473 (16)
Mn1-N2 2.2398 (16)
Symmetry code: (i) [x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z+{\script{1\over 2}}].

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O5-H1...O6 0.84 1.91 2.716 (4) 160
O5-H4...O5ii 0.84 2.00 2.715 (4) 142
O6-H2...O6iii 0.84 1.83 2.661 (3) 170
O6-H3...O5 0.84 1.90 2.716 (4) 162
Symmetry codes: (ii) -x+1, -y+1, -z+1; (iii) -x, -y+1, -z+1.

Data collection: CrystalClear (Rigaku, 2008[Rigaku (2008). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: Il Milione (Burla et al., 2007[Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G., Siliqi, D. & Spagna, R. (2007). J. Appl. Cryst. 40, 609-613.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: CrystalStructure (Rigaku, 2010[Rigaku (2010). Crystal Structure. Rigaku Corporation, Tokyo, Japan.]); software used to prepare material for publication: CrystalStructure (Rigaku, 2010[Rigaku (2010). Crystal Structure. Rigaku Corporation, Tokyo, Japan.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IS5235 ).


Acknowledgements

This work was supported by funds (No. 101501) from the Central Research Institute of Fukuoka University and Grant-in-Aids for Science Research (No. 22550067) from the Ministry of Education, Culture, Sports, Science and Technology of Japan.

References

Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G., Siliqi, D. & Spagna, R. (2007). J. Appl. Cryst. 40, 609-613.  [ISI] [CrossRef] [ChemPort] [details]
Decurtins, S., Schmalle, H. W., Zheng, L.-M. & Ensling, J. (1996). Inorg. Chim. Acta, 244, 165-170.  [CSD] [CrossRef] [ChemPort] [ISI]
Deguenon, D., Bernardinelli, G., Tuchagues, J.-P. & Castan, J.-P. (1990). Inorg. Chem. 29, 3031-3037.  [CrossRef] [ChemPort] [ISI]
Kabir, M. K., Kawahara, M., Kumagai, H., Adachi, K., Kawata, S., Ishii, T. & Kitagawa, S. (2001). Polyhedron, 20, 1417-1422.  [ISI] [CSD] [CrossRef] [ChemPort]
Nagayoshi, K., Kabir, M. K., Tobita, H., Honda, K., Kawahara, M., Katada, M., Adachi, K., Nishikawa, H., Ikemoto, I., Kumagai, H., Hosokoshi, Y., Inoue, K., Kitagawa, S. & Kawata, S. (2003). J. Am. Chem. Soc. 125, 221-232.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Rigaku (1998). REQAB. Rigaku Corporation, Tokyo, Japan.
Rigaku (2008). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Rigaku (2010). Crystal Structure. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Zheng, L.-M., Schmalle, H. W., Huber, R. & Decurtins, S. (1996). Polyhedron, 15, 4399-4405.  [CSD] [CrossRef] [ChemPort] [ISI]


Acta Cryst (2013). E69, m119-m120   [ doi:10.1107/S1600536813001438 ]

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