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Aqua[N1-(2-oxidobenzylideneamino)-3-azapentane-1,5-diamine]iron(II) chloride
ISSN 1600-5368
The title compound, [Fe(C11H18N3O2)(H2O)]Cl, is a mononuclear iron(II) complex, consisting of one coordination
cation and one uncoordinated Cl anion. The central metal
has distorted square-pyramidal geometry. Weak intermolecular hydrogen bonds link the molecules to form twodimensional layers parallel to the bc plane.
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kun_chen863@yahoo.com.cn
Comment
Key indicators
Single-crystal X-ray study
T = 293 K
Experimental
# 2006 International Union of Crystallography
All rights reserved
[Fe(C11H18N3O2)(H2O)]Cl
m2305
metal-organic papers
methanol and acetonitrile (20 ml, 1:1 v/v), resulting in a light-green
solution. Diethyl ether was slowly diffused into this solution for 24 h,
after which time large green prism crystals were precipitated. These
were filtered off, washed three times with methanol and dried in
vacuo (yield 67%). The product darkens in colour when exposed to
the air for more than 2 d.
Crystal data
[Fe(C11H18N3O2)(H2O)]Cl
Mr = 315.58
Monoclinic, P21 =c
a = 9.059 (4) A
b = 13.679 (5) A
c = 10.800 (5) A
= 101.880 (10)
3
V = 1309.6 (10) A
Z=4
Dx = 1.601 Mg m3
Mo K radiation
= 1.35 mm1
T = 293 (2) K
Prism, green
0.5 0.4 0.4 mm
Figure 1
The molecular structure of (I), showing 30% probability displacement
ellipsoids and the atom-numbering scheme.
Data collection
Bruker SMART CCD area-detector
diffractometer
and ! scans
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
Tmin = 0.623, Tmax = 0.733
(expected range = 0.4950.582)
Refinement
Refinement on F 2
R[F 2 > 2(F 2)] = 0.045
wR(F 2) = 0.122
S = 1.08
2425 reflections
172 parameters
H atoms treated by a mixture of
independent and constrained
refinement
Table 1
, ).
Hydrogen-bond geometry (A
DH A
i
O1WH1WA O1
O1WH1WB Cl1
N2H2N Cl1
N3H3NA Cl1ii
N3H3NB O1Wi
DH
H A
D A
DH A
0.843 (10)
0.85 (6)
0.90
0.99
0.92
1.842 (14)
2.36 (4)
2.36
2.39
2.43
2.675
3.124
3.253
3.340
3.115
169 (5)
151 (7)
170
162
131
(5)
(4)
(4)
(4)
(5)
m2306
[Fe(C11H18N3O2)(H2O)]Cl
References
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Qu, Y., Liu, Z.-D. & Zhu, H.-L. (2005). Pol. J. Chem. 79, 15351538.
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Wisconsin, USA.
Siemens (1996). SMART and SAINT. Siemens Analytical X-ray Instruments
Inc., Madison, Wisconsin, USA.
You, Z.-L., Tang, L.-L. & Zhu, H.-L. (2005). Acta Cryst. E61, m36m38.
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You, Z.-L. & Zhu, H.-L. (2004b). Acta Cryst. E60, m1046m1048.
You, Z.-L. & Zhu, H.-L. (2006). Z. Anorg. Allg. Chem. 632, 140146.
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1622.
You, Z.-L., Zhu, H.-L. & Liu, W.-S. (2004b). Acta Cryst. E60, m794m796.
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41824186.
Zhu, H.-L., Xia, D.-S., Zeng, Q.-F., Wang, Z.-G. & Wang, D.-Q. (2003). Acta
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