A triclinic polymorph of dichlorido(2-{[2-(isopropyl­ammonio)­eth­yl]imino­methyl-κN}-5-meth­oxy­phenolato-κO1)zinc

Pei, A.-T.

doi:10.1107/S1600536812014341

Volume 68
Part 5
Page m587
May 2012

Received 29 March 2012
Accepted 3 April 2012
Online 13 April 2012

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.010 Å
R = 0.055
wR = 0.181
Data-to-parameter ratio = 15.7
Details

A triclinic polymorph of dichlorido(2-{[2-(isopropylammonio)ethyl]iminomethyl-N}-5-methoxyphenolato-O¹)zinc

Ai-Tian Pei ^a ^*

^aZibo Vocational Institute, Zibo 255314, People's Republic of China
Correspondence e-mail: aitianpei@126.com

The title compound, [ZnCl₂(C₁₃H₂₀N₂O₂)], was first reported in the monoclinic space group P2₁/n [Han et al. (2010). Acta Cryst. E66, m469]. This investigation reveals a triclinic polymorph in the space group P-1 with an asymmetric unit that contains two independent molecules of the mononuclear zinc(II) complex. In each molecule, the Zn^II atoms are coordinated in a bidentate fashion by the phenolate O and imine N atoms of the Schiff base ligand. Two Cl^- anions complete the tetrahedral coordination in each case. The most obvious difference between the two forms is that the Zn-L (L = O, N, Cl) bond lengths in both unique molecules are longer than those found in the monoclinic polymorph, or indeed in other similar complexes. In the crystal, molecules are linked through N-HO and N-HCl hydrogen bonds, forming chains along the b axis.

Related literature

For the structures of zinc complexes with Schiff base ligands, see: Munro et al. (2009); Granifo et al. (2006). For a monoclinic polymorph of the title compound in the space group P2₁/n, see: Han et al. (2010). For bond lengths in related zinc complexes, see: Ali et al. (2008); Zhu (2008); Wang (2007).

Experimental

Crystal data

[ZnCl₂(C₁₃H₂₀N₂O₂)]
M_r = 372.58
Triclinic, $[P \overline 1]$
a = 6.491 (3) Å
b = 12.351 (2) Å
c = 22.803 (3) Å
= 90.707 (2)°
= 96.201 (2)°
= 90.660 (2)°
V = 1817.1 (9) Å³
Z = 4
Mo K radiation
= 1.65 mm^-1
T = 298 K
0.13 × 0.10 × 0.08 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 2004) T_min = 0.814, T_max = 0.880
8230 measured reflections
5775 independent reflections
4093 reflections with I > 2(I)
R_int = 0.027

Refinement

R[F² > 2(F²)] = 0.055
wR(F²) = 0.181
S = 1.08
5775 reflections
367 parameters
H-atom parameters constrained
_max = 0.63 e Å^-3
_min = -0.57 e Å^-3

Table 1
Selected bond lengths (Å)

Zn1-O1	1.995 (4)
Zn1-N1	2.061 (4)
Zn1-Cl2	2.3252 (18)
Zn1-Cl1	2.3628 (17)
Zn2-O3	1.994 (4)
Zn2-N3	2.095 (5)
Zn2-Cl3	2.2994 (16)
Zn2-Cl4	2.3575 (16)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N4-H4BO1ⁱ	0.90	2.03	2.904 (6)	163
N4-H4ACl2ⁱ	0.90	2.73	3.466 (5)	140
N2-H2BCl3	0.90	2.74	3.484 (5)	140
N2-H2AO3	0.90	2.03	2.892 (6)	161
Symmetry code: (i) x, y-1, z.

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; 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 local programs.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SJ5230 ).

References

Ali, H. M., Mohamed Mustafa, M. I., Rizal, M. R. & Ng, S. W. (2008). Acta Cryst. E64, m718-m719.
Bruker (2001). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Granifo, J., Garland, M. T. & Baggio, R. (2006). Acta Cryst. C62, m56-m59.
Han, Z.-Q., Wang, Y. & Han, S. (2010). Acta Cryst. E66, m469.
Munro, O. Q., Gillham, K. & Akerman, M. P. (2009). Acta Cryst. C65, m317-m320.
Sheldrick, G. M. (2004). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Wang, S.-X. (2007). Acta Cryst. E63, m706-m707.
Zhu, X.-W. (2008). Acta Cryst. E64, m1456-m1457.

metal-organic compounds

A triclinic polymorph of dichlorido(2-{[2-(isopropylammonio)ethyl]iminomethyl-N}-5-methoxyphenolato-O1)zinc