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Volume 68 
Part 1 
Page m51  
January 2012  

Received 15 November 2011
Accepted 9 December 2011
Online 14 December 2011

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.004 Å
R = 0.030
wR = 0.059
Data-to-parameter ratio = 17.3
Details
Open access

Bis(morpholin-4-ium) tetrachloridocobalt(II)

aSchool of Chemistry and Chemical Engineering, Xi'an Shiyou University, Xi'an 710065, People's Republic of China,bInstitute of Chemical Problems, Azerbaijan Academy of Sciences, Baku, Azerbaijan,cInstrumentation Center, National Taiwan University, Taipei 106, Taiwan,dInstitute of Chemistry, Academia Sinica, Taipei 106, Taiwan, and eDepartment of Chemistry, National Taiwan University, Institute of Chemistry, Academia Sinica, Taipei 106, Taiwan
Correspondence e-mail: wzwang@xsyu.edu.cn, smpeng@ntu.edu.tw

The title compound, (C4H10NO)2[CoCl4], is an ionic compound consisting of two protonated tetrahydro-1,4-oxazine (morpholine) cations and a [CoCl4]2- dianion. The CoII ion is in a tetrahedral coordination geometry. The cations exhibit chair-shaped conformations. A three-dimensional supramolecular architecture is formed through N-H...Cl and C-H...Cl hydrogen bonds between the dianions and the cations.

Related literature

For background to this class of compound, see: Ismayilov et al. (2007[Ismayilov, R. H., Wang, W.-Z., Lee, G.-H., Wang, R.-R., Liu, I. P.-C., Yeh, C.-Y. & Peng, S.-M. (2007). Dalton Trans. pp. 2898-2907.]); Kiehl et al. (2004[Kiehl, P., Rohmer, M.-M. & Benard, M. (2004). Inorg. Chem. 43, 3151-3158.]); Leung et al. (2002[Leung, M.-K., Mandal, A. B., Wang, C.-C., Lee, G.-H., Peng, S.-M., Cheng, H.-L., Her, G.-R., Chao, I., Lu, H.-F., Sun, Y.-C., Shiao, M.-Y. & Chou, P.-T. (2002). J. Am. Chem. Soc. 124, 4287-4297.]); Wang et al. (2007[Wang, W.-Z., Ismayilov, R. H., Lee, G.-H., Liu, I. P.-C., Yeh, C.-Y. & Peng, S.-M. (2007). Dalton Trans. pp. 830-839.], 2008[Wang, W.-Z., Ismayilov, R. H., Wang, R.-R., Huang, Y.-L., Yeh, C.-Y., Lee, G.-H. & Peng, S.-M. (2008). Dalton Trans. pp. 6808-6816.]). For the synthesis, see: Wang et al. (2007[Wang, W.-Z., Ismayilov, R. H., Lee, G.-H., Liu, I. P.-C., Yeh, C.-Y. & Peng, S.-M. (2007). Dalton Trans. pp. 830-839.], 2008[Wang, W.-Z., Ismayilov, R. H., Wang, R.-R., Huang, Y.-L., Yeh, C.-Y., Lee, G.-H. & Peng, S.-M. (2008). Dalton Trans. pp. 6808-6816.]). For related structures, see: Fastje & Möller (2009[Fastje, O. & Möller, A. (2009). Z. Anorg. Allg. Chem. 635, 828-832.]); Szklarz et al. (2009[Szklarz, P., Owczarek, M., Bator, G., Lis, T., Gatner, K. & Jakubas, R. (2009). J. Mol. Struct. 929, 48-57.]); Wu et al. (1997[Wu, L., Yao, Y.-G. & Huang, X.-Y. (1997). Chin. J. Struct. Chem. 16, 191-194.]).

[Scheme 1]

Experimental

Crystal data
  • (C4H10NO)2[CoCl4]

  • Mr = 376.99

  • Monoclinic, P 21 /c

  • a = 9.7545 (5) Å

  • b = 15.0283 (8) Å

  • c = 10.4785 (5) Å

  • [beta] = 94.064 (3)°

  • V = 1532.22 (13) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.81 mm-1

  • T = 100 K

  • 0.20 × 0.16 × 0.06 mm

Data collection
  • Bruker SMART APEX CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.714, Tmax = 0.899

  • 10714 measured reflections

  • 2661 independent reflections

  • 2001 reflections with I > 2[sigma](I)

  • Rint = 0.047

Refinement
  • R[F2 > 2[sigma](F2)] = 0.030

  • wR(F2) = 0.059

  • S = 0.89

  • 2661 reflections

  • 154 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.32 e Å-3

  • [Delta][rho]min = -0.32 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1A...Cl2i 0.92 2.40 3.275 (3) 159
N1-H1B...Cl1 0.92 2.38 3.184 (2) 146
N2-H2A...Cl3 0.92 2.45 3.232 (3) 142
N2-H2B...Cl3ii 0.92 2.37 3.264 (3) 163
C2-H2C...Cl1ii 0.99 2.71 3.603 (3) 151
C3-H3B...Cl4i 0.99 2.77 3.556 (3) 136
C5-H5A...Cl3iii 0.99 2.83 3.767 (3) 158
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) [x, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]; (iii) [-x+2, y+{\script{1\over 2}}, -z+{\script{3\over 2}}].

Data collection: SMART (Bruker, 2007[Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). 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: XP in SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: PK2366 ).


References

Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Fastje, O. & Möller, A. (2009). Z. Anorg. Allg. Chem. 635, 828-832.  [CrossRef] [ChemPort]
Ismayilov, R. H., Wang, W.-Z., Lee, G.-H., Wang, R.-R., Liu, I. P.-C., Yeh, C.-Y. & Peng, S.-M. (2007). Dalton Trans. pp. 2898-2907.  [CSD] [CrossRef]
Kiehl, P., Rohmer, M.-M. & Benard, M. (2004). Inorg. Chem. 43, 3151-3158.  [ISI] [CrossRef] [PubMed] [ChemPort]
Leung, M.-K., Mandal, A. B., Wang, C.-C., Lee, G.-H., Peng, S.-M., Cheng, H.-L., Her, G.-R., Chao, I., Lu, H.-F., Sun, Y.-C., Shiao, M.-Y. & Chou, P.-T. (2002). J. Am. Chem. Soc. 124, 4287-4297.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Szklarz, P., Owczarek, M., Bator, G., Lis, T., Gatner, K. & Jakubas, R. (2009). J. Mol. Struct. 929, 48-57.  [ISI] [CSD] [CrossRef] [ChemPort]
Wang, W.-Z., Ismayilov, R. H., Lee, G.-H., Liu, I. P.-C., Yeh, C.-Y. & Peng, S.-M. (2007). Dalton Trans. pp. 830-839.  [CSD] [CrossRef]
Wang, W.-Z., Ismayilov, R. H., Wang, R.-R., Huang, Y.-L., Yeh, C.-Y., Lee, G.-H. & Peng, S.-M. (2008). Dalton Trans. pp. 6808-6816.  [CSD] [CrossRef]
Wu, L., Yao, Y.-G. & Huang, X.-Y. (1997). Chin. J. Struct. Chem. 16, 191-194.  [ChemPort]


Acta Cryst (2012). E68, m51  [ doi:10.1107/S1600536811053128 ]

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