catena-Poly[[bis-(ethyl-enediamine)copper(II)]-μ-sulfato].

In the title compound, [Cu(SO(4))(C(2)H(8)N(2))(2)](n), the Cu, S and two O atoms lie on a mirror plane. The Cu atom is in a distorted octa-hedral environment and the ethyl-enediamine ligand is in a gauche conformation. The sulfate dianion is bridging, forming a one-dimensional chain. A two-dimensional net parallel to (001) is generated by N-H⋯O hydrogen bonding between the chains.

Related literature

For related Cu(II) ethyl­enediamine complexes, see: Cullen & Lingafelter (1970 ▶); Bertini et al. (1979 ▶); Healy et al. (1978 ▶); Manriquez et al. (1996 ▶); Taylor et al. (2006 ▶). A similar variation of axial Cu—O distances is found in many weakly coord­inating anions such as sulfate (Castro et al., 2002 ▶), nitrate (Plater et al., 2008 ▶), perchlorate (Bernhardt et al., 2001 ▶) or triflate (Liu et al., 2007 ▶). The anisotropic mosaicity was treated according to Duisenberg (1983 ▶).

Experimental

Crystal data

[Cu(SO4)(C2H8N2)2]

M = 279.81

Orthorhombic,

a = 14.4959 (3) Å

b = 9.63748 (8) Å

c = 13.87746 (17) Å

V = 1938.73 (5) Å3

Z = 8

Mo Kα radiation

μ = 2.47 mm−1

T = 110 K

0.36 × 0.21 × 0.06 mm

Data collection

Nonius KappaCCD diffractometer

Absorption correction: analytical (SADABS; Sheldrick, 2008a ▶) T min = 0.489, T max = 0.910

29167 measured reflections

2204 independent reflections

1990 reflections with I > 2σ(I)

R int = 0.032

Refinement

R[F 2 > 2σ(F 2)] = 0.019

wR(F 2) = 0.048

S = 1.10

2204 reflections

86 parameters

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.44 e Å−3

Δρmin = −0.56 e Å−3

Data collection: COLLECT (Nonius, 1999 ▶); cell refinement: PEAKREF (Schreurs, 2005 ▶); data reduction: Eval15 (Schreurs et al., 2010 ▶) and SADABS (Sheldrick, 2008a ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008b ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008b ▶); molecular graphics: PLATON (Spek, 2009 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S160053681001737X/vm2026sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S160053681001737X/vm2026Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Cu(SO4)(C2H8N2)2]	F(000) = 1160
Mr = 279.81	Dx = 1.917 Mg m−3
Orthorhombic, Cmca	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2bc 2	Cell parameters from 21936 reflections
a = 14.4959 (3) Å	θ = 2.5–35.0°
b = 9.63748 (8) Å	µ = 2.47 mm−1
c = 13.87746 (17) Å	T = 110 K
V = 1938.73 (5) Å3	Plate, blue
Z = 8	0.36 × 0.21 × 0.06 mm

Nonius KappaCCD diffractometer	2204 independent reflections
Radiation source: rotating anode	1990 reflections with I > 2σ(I)
graphite	Rint = 0.032
φ and ω scans	θmax = 35.0°, θmin = 2.8°
Absorption correction: analytical (SADABS; Sheldrick, 2008a)	h = −23→23
Tmin = 0.489, Tmax = 0.910	k = −15→15
29167 measured reflections	l = −20→22

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.019	Hydrogen site location: difference Fourier map
wR(F2) = 0.048	H atoms treated by a mixture of independent and constrained refinement
S = 1.10	w = 1/[σ2(Fo2) + (0.0208P)2 + 2.1845P] where P = (Fo2 + 2Fc2)/3
2204 reflections	(Δ/σ)max = 0.001
86 parameters	Δρmax = 0.44 e Å−3
0 restraints	Δρmin = −0.56 e Å−3

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

	x	y	z	Uiso*/Ueq
Cu1	0.0000	0.226359 (15)	0.385553 (11)	0.00587 (4)
S1	0.0000	0.24252 (3)	0.13888 (2)	0.00541 (5)
O1	0.0000	0.32265 (9)	0.22939 (6)	0.00932 (16)
O2	0.08343 (5)	0.15354 (7)	0.13383 (5)	0.01049 (12)
O3	0.0000	0.34145 (9)	0.05699 (7)	0.00990 (16)
N1	0.09978 (5)	0.08890 (8)	0.35157 (6)	0.00890 (13)
H1N	0.0983 (10)	0.0830 (15)	0.2899 (12)	0.018 (4)*
H2N	0.0882 (13)	0.0121 (18)	0.3774 (10)	0.022 (4)*
N2	0.10526 (6)	0.35659 (8)	0.41674 (6)	0.00842 (12)
H3N	0.0944 (12)	0.4387 (18)	0.3986 (11)	0.020 (4)*
H4N	0.1142 (11)	0.3552 (15)	0.4779 (11)	0.016 (4)*
C1	0.18950 (6)	0.14531 (9)	0.38195 (7)	0.01121 (15)
H1A	0.2397	0.1034	0.3434	0.013*
H1B	0.2007	0.1241	0.4508	0.013*
C2	0.18704 (7)	0.30147 (9)	0.36647 (7)	0.01045 (15)
H2A	0.2438	0.3445	0.3926	0.013*
H2B	0.1833	0.3227	0.2968	0.013*

	U11	U22	U33	U12	U13	U23
Cu1	0.00700 (7)	0.00409 (6)	0.00652 (7)	0.000	0.000	−0.00089 (4)
S1	0.00864 (12)	0.00388 (10)	0.00371 (11)	0.000	0.000	−0.00008 (8)
O1	0.0172 (4)	0.0071 (4)	0.0036 (4)	0.000	0.000	−0.0017 (3)
O2	0.0111 (3)	0.0101 (3)	0.0102 (3)	0.0040 (2)	0.0003 (2)	−0.0006 (2)
O3	0.0192 (4)	0.0057 (3)	0.0048 (4)	0.000	0.000	0.0012 (3)
N1	0.0094 (3)	0.0064 (3)	0.0109 (3)	−0.0003 (2)	−0.0013 (3)	−0.0010 (2)
N2	0.0126 (3)	0.0064 (3)	0.0063 (3)	−0.0012 (2)	0.0005 (2)	−0.0004 (2)
C1	0.0091 (4)	0.0088 (3)	0.0157 (4)	0.0001 (3)	−0.0027 (3)	−0.0002 (3)
C2	0.0103 (4)	0.0094 (3)	0.0116 (4)	−0.0024 (3)	0.0012 (3)	−0.0003 (3)

Cu1—N1i	2.0172 (8)	N1—H1N	0.858 (16)
Cu1—N1	2.0173 (8)	N1—H2N	0.839 (17)
Cu1—N2i	2.0226 (8)	N2—C2	1.4745 (12)
Cu1—N2	2.0226 (8)	N2—H3N	0.845 (17)
Cu1—O1	2.3575 (9)	N2—H4N	0.859 (15)
Cu1—O3ii	2.4673 (9)	C1—C2	1.5207 (13)
S1—O1	1.4745 (9)	C1—H1A	0.9900
S1—O3	1.4834 (9)	C1—H1B	0.9900
S1—O2i	1.4842 (7)	C2—H2A	0.9900
S1—O2	1.4842 (7)	C2—H2B	0.9900
N1—C1	1.4712 (12)
N1i—Cu1—N1	91.62 (4)	C1—N1—H1N	109.4 (10)
N1i—Cu1—N2i	85.22 (3)	Cu1—N1—H1N	105.0 (10)
N1—Cu1—N2i	176.81 (3)	C1—N1—H2N	112.3 (12)
N1i—Cu1—N2	176.81 (3)	Cu1—N1—H2N	109.6 (12)
N1—Cu1—N2	85.22 (3)	H1N—N1—H2N	111.3 (14)
N2i—Cu1—N2	97.95 (4)	C2—N2—Cu1	106.36 (5)
N1i—Cu1—O1	92.50 (3)	C2—N2—H3N	110.2 (11)
N1—Cu1—O1	92.50 (3)	Cu1—N2—H3N	112.1 (11)
N2i—Cu1—O1	87.27 (3)	C2—N2—H4N	110.0 (10)
N2—Cu1—O1	87.27 (3)	Cu1—N2—H4N	108.4 (10)
N1i—Cu1—O3ii	92.95 (3)	H3N—N2—H4N	109.7 (14)
N1—Cu1—O3ii	92.95 (3)	N1—C1—C2	107.73 (7)
N2i—Cu1—O3ii	87.59 (3)	N1—C1—H1A	110.2
N2—Cu1—O3ii	87.59 (3)	C2—C1—H1A	110.2
O1—Cu1—O3ii	172.18 (3)	N1—C1—H1B	110.2
O1—S1—O3	108.42 (5)	C2—C1—H1B	110.2
O1—S1—O2i	110.05 (3)	H1A—C1—H1B	108.5
O3—S1—O2i	109.58 (3)	N2—C2—C1	107.97 (7)
O1—S1—O2	110.05 (3)	N2—C2—H2A	110.1
O3—S1—O2	109.59 (3)	C1—C2—H2A	110.1
O2i—S1—O2	109.14 (6)	N2—C2—H2B	110.1
S1—O1—Cu1	125.23 (5)	C1—C2—H2B	110.1
C1—N1—Cu1	108.92 (5)	H2A—C2—H2B	108.4
O3—S1—O1—Cu1	180.0	N2—Cu1—N1—C1	9.25 (6)
O2i—S1—O1—Cu1	60.16 (3)	O1—Cu1—N1—C1	96.30 (6)
O2—S1—O1—Cu1	−60.16 (3)	N1—Cu1—N2—C2	19.71 (6)
N1i—Cu1—O1—S1	−45.86 (2)	N2i—Cu1—N2—C2	−159.89 (4)
N1—Cu1—O1—S1	45.86 (2)	O1—Cu1—N2—C2	−73.03 (6)
N2i—Cu1—O1—S1	−130.95 (2)	Cu1—N1—C1—C2	−35.63 (9)
N2—Cu1—O1—S1	130.95 (2)	Cu1—N2—C2—C1	−44.31 (8)
N1i—Cu1—N1—C1	−171.12 (4)	N1—C1—C2—N2	53.74 (10)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1N···O2	0.858 (16)	2.280 (16)	3.0944 (11)	158.5 (14)
N1—H2N···O3iii	0.839 (17)	2.274 (17)	3.0642 (11)	157.1 (17)
N2—H3N···O2iv	0.845 (17)	2.125 (17)	2.9636 (10)	171.6 (16)
N2—H4N···O2v	0.859 (15)	2.210 (15)	3.0308 (10)	159.7 (14)

Cu1—N1	2.0173 (8)
Cu1—N2	2.0226 (8)
Cu1—O1	2.3575 (9)
Cu1—O3i	2.4673 (9)

N1ii—Cu1—N1	91.62 (4)
N1—Cu1—N2ii	176.81 (3)
N1—Cu1—N2	85.22 (3)
N2ii—Cu1—N2	97.95 (4)
N1—Cu1—O1	92.50 (3)
N2—Cu1—O1	87.27 (3)
N1—Cu1—O3i	92.95 (3)
N2—Cu1—O3i	87.59 (3)
O1—Cu1—O3i	172.18 (3)

N1—C1—C2—N2

53.74 (10)

Symmetry codes: (i) ; (ii) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H1N⋯O2	0.858 (16)	2.280 (16)	3.0944 (11)	158.5 (14)
N1—H2N⋯O3iii	0.839 (17)	2.274 (17)	3.0642 (11)	157.1 (17)
N2—H3N⋯O2iv	0.845 (17)	2.125 (17)	2.9636 (10)	171.6 (16)
N2—H4N⋯O2v	0.859 (15)	2.210 (15)	3.0308 (10)	159.7 (14)

Symmetry codes: (iii) ; (iv) ; (v) .