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Volume 66 
Part 11 
Pages m1350-m1351  
November 2010  

Received 20 September 2010
Accepted 27 September 2010
Online 2 October 2010

Key indicators
Single-crystal X-ray study
T = 90 K
Mean [sigma](C-C) = 0.005 Å
R = 0.052
wR = 0.109
Data-to-parameter ratio = 17.2
Details
Open access

(Di-2-pyridylamine)(methanol)sulfatocopper(II)

aDepartment of Chemistry, Syracuse University, Syracuse, New York 13244, USA
Correspondence e-mail: jazubiet@syr.edu

The title complex, [Cu(SO4)(C10H9N3)(CH3OH)], is a mononuclear species with the CuII ion in a Jahn-Teller-distorted `4 + 1' square-pyramidal geometry. The basal plane is defined by the pyridyl N-atom donors of the bipyridylamine (bpa) ligand and two O-atom donors of the sulfate ligand. The coordination geometry is completed by the axial coordination of a methanol O-atom donor. The axial bond length displays the usual elongation: Cu-O(axial) = 2.168 (2), Cu-O(basal) = 2.016 (2) (average) and Cu-N(basal) = 1.951 (3) Å (average). In the crystal structure, the complex molecules are linked through N-H...O and O-H...O hydrogen bonds into chains along [100].

Related literature

For structures of other copper-bis(2-pyridyl)amine complexes, see: Fischer & Bau (1977[Fischer, B. E. & Bau, R. (1977). J. Chem. Soc. Chem. Commun. pp. 272-273.]); Kavounis et al. (1999[Kavounis, C. A., Tzavellas, C., Cardin, C. J. & Zubavichus, Y. (1999). Struct. Chem. 10, 411-417.]); Youngme et al. (2005[Youngme, S., Phuengphai, P., Pakawatchai, C., Van Albada, G. A. & Reedijk, J. (2005). Inorg. Chim. Acta, 358, 2125-2128.]). For solvatothermal chemistry of compounds containing copper-bis(2-pyridyl)amine subunits, see: DeBurgomaster et al. (2010[DeBurgomaster, P., Bartholoma, M., Raffel, R., Ouellette, W., Muller, A. & Zubieta, J. (2010). Inorg. Chim. Acta, 63, 1386-1394.]). For structural chemistry of the related tridentate ligand bis(2-pyridylmethyl)amine, see: Bartholomä et al. (2010a[Bartholomä, M., Cheung, H. & Zubieta, J. (2010a). Acta Cryst. E66, m1195-m1196.], b[Bartholomä, M., Cheung, H. & Zubieta, J. (2010b). Acta Cryst. E66, m1197.],c[Bartholomä, M., Cheung, H. & Zubieta, J. (2010c). Acta Cryst. E66, m1198.],d[Bartholomä, M., Cheung, H. & Zubieta, J. (2010d). Acta Cryst. E66, m1199-m1200.],e[Bartholomä, M., Cheung, H., Darling, K. & Zubieta, J. (2010e). Acta Cryst. E66, m1201-m1202.]). For copper-pyridyl subunits in the design of organic-inorganic hybrid materials, see: Armatas et al. (2005[Armatas, G. N., Burkholder, E. & Zubieta, J. (2005). J. Solid State Chem. 718, 2430-2435.]); Chesnut et al. (1999[Chesnut, D. J., Hagrman, D., Zapf, P. J., Hammond, R. P., LaDuca, R., Haushalter, R. C. & Zubieta, J. (1999). Coord. Chem. Rev. 190-192, 737-769.]); Hagrman et al. (1999[Hagrman, P. J., Hagrman, D. & Zubieta, J. (1999). Angew. Chem. Int. Ed. 38, 2638-2684.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu(SO4)(C10H9N3)(CH4O)]

  • Mr = 362.84

  • Monoclinic, P 21 /n

  • a = 7.1403 (10) Å

  • b = 10.7361 (15) Å

  • c = 17.798 (3) Å

  • [beta] = 92.185 (3)°

  • V = 1363.4 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.78 mm-1

  • T = 90 K

  • 0.30 × 0.15 × 0.07 mm

Data collection
  • Bruker APEX CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 1998[Bruker (1998). SMART, SAINT and SADABS. Bruker AXS Inc. Madison, Wisconsin, USA.]) Tmin = 0.617, Tmax = 0.886

  • 13215 measured reflections

  • 3308 independent reflections

  • 3119 reflections with I > 2[sigma](I)

  • Rint = 0.033

Refinement
  • R[F2 > 2[sigma](F2)] = 0.052

  • wR(F2) = 0.109

  • S = 1.26

  • 3308 reflections

  • 192 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.79 e Å-3

  • [Delta][rho]min = -0.75 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-HN2...O3i 0.90 1.97 2.854 (3) 169
O5-HO5...O3ii 0.89 1.82 2.700 (3) 168
Symmetry codes: (i) -x+1, -y+1, -z; (ii) x+1, y, z.

Data collection: SMART (Bruker, 1998[Bruker (1998). SMART, SAINT and SADABS. Bruker AXS Inc. Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 1998[Bruker (1998). SMART, SAINT and SADABS. 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: CrystalMaker (Palmer, 2006[Palmer, D. (2006). Crystal Maker. Crystal Maker Software Ltd, Yarnton, England.]); software used to prepare material for publication: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HG2716 ).


Acknowledgements

This work was supported by a grant from the National Science Foundation, CHE-0907787.

References

Armatas, G. N., Burkholder, E. & Zubieta, J. (2005). J. Solid State Chem. 718, 2430-2435.
Bartholomä, M., Cheung, H., Darling, K. & Zubieta, J. (2010e). Acta Cryst. E66, m1201-m1202.  [CrossRef] [details]
Bartholomä, M., Cheung, H. & Zubieta, J. (2010a). Acta Cryst. E66, m1195-m1196.  [CrossRef] [details]
Bartholomä, M., Cheung, H. & Zubieta, J. (2010b). Acta Cryst. E66, m1197.  [CrossRef] [details]
Bartholomä, M., Cheung, H. & Zubieta, J. (2010c). Acta Cryst. E66, m1198.  [CrossRef] [details]
Bartholomä, M., Cheung, H. & Zubieta, J. (2010d). Acta Cryst. E66, m1199-m1200.  [CrossRef] [details]
Bruker (1998). SMART, SAINT and SADABS. Bruker AXS Inc. Madison, Wisconsin, USA.
Chesnut, D. J., Hagrman, D., Zapf, P. J., Hammond, R. P., LaDuca, R., Haushalter, R. C. & Zubieta, J. (1999). Coord. Chem. Rev. 190-192, 737-769.  [CrossRef] [ChemPort]
DeBurgomaster, P., Bartholoma, M., Raffel, R., Ouellette, W., Muller, A. & Zubieta, J. (2010). Inorg. Chim. Acta, 63, 1386-1394.  [ISI] [CrossRef]
Fischer, B. E. & Bau, R. (1977). J. Chem. Soc. Chem. Commun. pp. 272-273.  [CrossRef] [ISI]
Hagrman, P. J., Hagrman, D. & Zubieta, J. (1999). Angew. Chem. Int. Ed. 38, 2638-2684.  [CrossRef]
Kavounis, C. A., Tzavellas, C., Cardin, C. J. & Zubavichus, Y. (1999). Struct. Chem. 10, 411-417.  [ISI] [CSD] [CrossRef] [ChemPort]
Palmer, D. (2006). Crystal Maker. Crystal Maker Software Ltd, Yarnton, England.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Youngme, S., Phuengphai, P., Pakawatchai, C., Van Albada, G. A. & Reedijk, J. (2005). Inorg. Chim. Acta, 358, 2125-2128.  [ISI] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2010). E66, m1350-m1351   [ doi:10.1107/S1600536810038675 ]

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