(IUCr) 2-Aminopyridinium (2-aminopyridine)trichloridonickelate(II)

Volume 64
Part 4
Pages m520-m521
April 2008

Received 21 February 2008
Accepted 28 February 2008
Online 5 March 2008

Key indicators
Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.003 Å
R = 0.035
wR = 0.080
Data-to-parameter ratio = 38.5
Details

2-Aminopyridinium (2-aminopyridine)trichloridonickelate(II)

Hoong-Kun Fun,^a ^* S. Franklin,^b Samuel Robinson Jebas ^a ⁺ and T. Balasubramanian ^b

^aX-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia, and ^bDepartment of Physics, National Institute of Technology, Tiruchirappalli 620 015, India
Correspondence e-mail: hkfun@usm.my

In the title compound, (C₅H₇N₂)[NiCl₃(C₅H₆N₂)], the Ni^II atom is four-coordinated by three chloride anions and one N atom of a 2-aminopyridine ligand, forming a distorted tetrahedral coordination. In the crystal structure, cations and complex anions are linked into chains along the a, b and c axes by N-HCl hydrogen bonds, leading to the formation of a three-dimensional framework.

Related literature

For related literature, see: Batsanov & Howard (2001); Bis & Zaworotko (2005); Chao et al. (1975); Corain et al. (1985); Jebas et al. (2006); Valdés-Martínez et al. (2001); Sletten & Kovacs (1993); Smith et al. (2000, 2001); Stibrany et al. (2004); Wei & Willett (1995); Windholz (1976).

Experimental

Crystal data

(C₅H₇N₂)[NiCl₃(C₅H₆N₂)]
M_r = 354.3
Monoclinic, C c
a = 12.9265 (1) Å
b = 8.0644 (1) Å
c = 13.9893 (1) Å
= 106.163 (1)°
V = 1400.67 (2) Å³
Z = 4
Mo K radiation
= 1.94 mm^-1
T = 100.0 (1) K
0.37 × 0.08 × 0.07 mm

Data collection

Bruker SMART APEXII CCD area-detector diffractometer with Oxford Cryosystems Cobra low-temperature attachment
Absorption correction: multi-scan (SADABS; Bruker, 2005) T_min = 0.533, T_max = 0.876
19539 measured reflections
6427 independent reflections
5088 reflections with I > 2(I)
R_int = 0.031

Refinement

R[F² > 2(F²)] = 0.035
wR(F²) = 0.079
S = 1.05
6427 reflections
167 parameters
2 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.52 e Å^-3
_min = -0.64 e Å^-3
Absolute structure: Flack (1983), 1953 Friedel pairs
Flack parameter: 0.065 (9)

Table 1
Selected geometric parameters (Å, °)

Ni1-N1	2.0287 (17)
Ni1-Cl2	2.2625 (6)
Ni1-Cl1	2.2665 (5)
Ni1-Cl3	2.2722 (6)

N1-Ni1-Cl2	114.10 (5)
N1-Ni1-Cl1	109.21 (5)
Cl2-Ni1-Cl1	107.77 (2)
N1-Ni1-Cl3	104.63 (5)
Cl2-Ni1-Cl3	108.62 (2)
Cl1-Ni1-Cl3	112.60 (2)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N3-H1N3Cl2ⁱ	0.82 (3)	2.81 (3)	3.380 (2)	128 (2)
N2-H2BCl2	0.86	2.53	3.3475 (19)	159
N2-H2CCl1ⁱⁱ	0.86	2.63	3.4866 (19)	172
N4-H4BCl3ⁱ	0.86	2.36	3.197 (2)	165
N4-H4CCl1ⁱⁱⁱ	0.86	2.54	3.344 (2)	156
Symmetry codes: (i) $[x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (ii) $[x, -y+1, z+{\script{1\over 2}}]$ ; (iii) x, y-1, z.

Data collection: APEX2 (Bruker, 2005); cell refinement: APEX2; data reduction: SAINT (Bruker, 2005); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2003).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CI2566 ).

Acknowledgements

HKF and SRJ thank the Malaysian Government and Universiti Sains Malaysia for the Science Fund grant No. 305/PFIZIK/613312. SRJ thanks Universiti Sains Malaysia for the award a postdoctoral research fellowship.

References

Batsanov, A. S. & Howard, J. A. K. (2001). Acta Cryst. E57, m308-m309.
Bis, J. A. & Zaworotko, M. J. (2005). Cryst. Growth Des. 5, 1169-1179.
Bruker (2005). APEX2 (Version 1.27), SAINT (Version 7.12a) and SADABS (Version 2004/1). Bruker AXS Inc., Madison, Wisconsin, USA.
Chao, M., Schemp, E. & Rosenstein, R. D. (1975). Acta Cryst. B31, 2922-2924.
Corain, B., Longato, B., Angeletti, R. & Valle, G. (1985). Inorg. Chim. Acta, 104, 15-18.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.
Jebas, S. R., Balasubramanian, T. & Light, M. E. (2006). Acta Cryst. E62, m1818-m1819.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Sletten, J. & Kovacs, J. A. (1993). J. Crystallogr. Spectrosc. Res. 23, 239.
Smith, G., Bott, R. C. & Wermuth, U. D. (2000). Acta Cryst. C56, 1505-1506.
Smith, M. C., Davies, S. C., Hughes, D. L. & Evans, D. J. (2001). Acta Cryst. E57, m509-m510.
Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.
Stibrany, R. T., Matturro, M. G., Zushma, S. & Patil, A. O. (2004). Acta Cryst. E60, m188-m189.
Valdés-Martínez, J., Alstrum-Acevedo, J. H., Toscano, R. A., Espinosa-Pérez, G., Helfrich, B. A. & West, D. X. (2001). Acta Cryst. E57, m137-m139.
Wei, M. & Willett, R. D. (1995). Inorg. Chem. 34, 3780-3782.
Windholz, M. (1976). The Merck Index, 9th ed. Rahway, New Jersey, USA: Merck & Co., Inc.

metal-organic compounds