catena-Poly[[[(2,2′-bipyrid­yl)copper(II)]-μ-l-alaninato] perchlorate monohydrate]

Braban, M.; Haiduc, I.; Lönnecke, P.

doi:10.1107/S1600536808040725

metal-organic compounds

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ISSN: 2056-9890

Volume 65| Part 1| January 2009| Page m51

doi:10.1107/S1600536808040725

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catena-Poly[[[(2,2′-bipyridyl)copper(II)]-μ-L-alaninato] perchlorate monohydrate]

Mircea Braban,^a ^* Ionel Haiduc ^a and Peter Lönnecke ^b

^aFacultatea de Chimie si Inginerie Chimica, Universitatea Babes Bolyai, Str. Arany Janos nr. 11, RO-400028 Cluj-Napoca, Romania, and ^bInstitut für Chemie und Mineralogie, Universität Leipzig, Johannisallee 29, D-04103 Leipzig, Germany
^*Correspondence e-mail: mircea_braban@yahoo.com

(Received 26 August 2008; accepted 3 December 2008; online 13 December 2008)

In the structure of the polymeric title complex, {[Cu(C₃H₆NO₂)(C₁₀H₈N₂)]ClO₄·H₂O}_n, the carboxylate group of the chelating amino acid is further linked to a neighbouring Cu centre, generating a supramolecular single-stranded chain parallel to [010]. The structure displays intermolecular N—H⋯O and O—H⋯O hydrogen bonding, which consolidates the crystal packing.

Related literature

For related structures, see: Antolini et al. (1983 ); Masuda et al. (1991 ); Sgarabotto et al. (1999 ); Solans et al. (1992 ).

Experimental

Crystal data

[Cu(C₃H₆NO₂)(C₁₀H₈N₂)]ClO₄·H₂O
M_r = 425.28
Monoclinic, P 2₁ /c
a = 13.1807 (10) Å
b = 8.2656 (6) Å
c = 16.1195 (13) Å
β = 110.606 (2)°
V = 1643.8 (2) Å³
Z = 4
Mo Kα radiation
μ = 1.53 mm⁻¹
T = 220 (2) K
0.60 × 0.30 × 0.30 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1997 ) T_min = 0.460, T_max = 0.656
13671 measured reflections
3939 independent reflections
3611 reflections with I > 2σ(I)
R_int = 0.020

Refinement

R[F² > 2σ(F²)] = 0.033
wR(F²) = 0.078
S = 1.11
3939 reflections
290 parameters
All H-atom parameters refined
Δρ_max = 0.89 e Å⁻³
Δρ_min = −0.43 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N3—H2N3⋯O7ⁱ	0.74 (4)	2.60 (4)	3.293 (4)	159 (5)
N3—H1N3⋯O1ⁱⁱ	0.83 (4)	2.48 (4)	3.225 (3)	149 (3)
N3—H1N3⋯O2ⁱⁱ	0.83 (4)	2.91 (4)	3.225 (3)	105 (3)
N3—H1N3⋯O7ⁱⁱ	0.83 (4)	2.70 (5)	3.059 (3)	108 (3)
N3—H2N3⋯O7ⁱⁱ	0.74 (4)	2.69 (5)	3.059 (3)	114 (4)
O7—H1O7⋯O2ⁱⁱ	0.79 (4)	2.08 (4)	2.857 (3)	166 (3)
Symmetry codes: (i) $[x, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ ; (ii) $[-x+1, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Data collection: SMART (Bruker, 1998 ); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997 ) and DIAMOND (Brandenburg, 1999 ); software used to prepare material for publication: WinGX (Farrugia, 1999 ).

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808040725/tk2300sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536808040725/tk2300Isup2.hkl

checkCIF report

Comment top

The structure of the title complex, (I) and Fig. 1, is of interest with respect to the stereochemistry of the complexed aminoacid, the coordination geometry of the metal centre and the single-stranded supramolecular assembly created primarly by further coordination of the carboxylate group of the aminoacid, Fig. 2. The secondary association is by crosslinks realised through H-bonds between the created chains, Fig. 3. The supramolecular structure described for (I) is found in other (aminoacidato)(2,2'-bipyridyl)copper(II) complexes, such as in the tryptophanato (Masuda et al., 1991) and aspartato complexes (Antolini et al., 1983). The assembly has also been identified in the proline complex but not described as a supramolecular association (Sgarabotto et al., 1999). For the alaninate complex, see also Solans et al. (1992).

Related literature top

For related structures, see: Antolini et al. (1983); Masuda et al. (1991); Sgarabotto et al. (1999); Solans et al. (1992).

Experimental top

The synthesis of (I) was realized by using an intermediate complex, i.e. tris(2,2'-bipyridyl)copper(II), as shown in Fig. 4. The cation in (I) was prepared according to the following procedure: Two ethanolic solutions, one containing 2,2'-bipyridyl (0.31 g, 2 mmol/5 mL) and another containing Cu(ClO₄)₂.2H₂O (0.6 g, 2 mmol/5 mL) were mixed with stirring. To the resulting suspension of a blue powder, an alkaline solution of L-alanine (0.18 g alanine + 0.08 g NaOH 2 mmol/10 mL water) was added dropwise (see also Scheme 2). The suspension cleared and changed colour to dark-blue. The mixture was heated to 50°C and Na₂ClO₄ (1 mmol) was added. After 10 mins, the solution was cooled and filtered. The filtrate was allowed to stand at room temperature for several days when dark-blue crystals, suitable for X-ray analysis, separated, collected and washed with a methanolic solution.

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997) and DIAMOND (Brandenburg, 1999); software used to prepare material for publication: WinGX (Farrugia, 1999).

Figures top

	Fig. 1. The asymmetric unit in (I) showing the crystallographic numbering scheme. Displacement ellipsoids are shown at the 50% probability level.
	Fig. 2. Single strand supramolecular assembly mediated by further coordination of the carboxylato group of the aminoacid. Colour code: cyan = Cu, green = Cl, red = O, blue = N, grey = C. Hydrogen atoms have been omitted for clarity.
	Fig. 3. Supramolecular assembly at the secondary level formed by H-bond formation. The single strand chain is represented with thick bonds whereas the H-bonds are represented by blue dashed lines. For clarity only hydrogens (shown in white) involved in intermolecular associations are represented.
	Fig. 4. The formation of the title compound.

catena-Poly[[[(2,2'-bipyridyl)copper(II)]-µ-L-alaninato] perchlorate monohydrate] top

Crystal data top

[Cu(C₃H₆NO₂)(C₁₀H₈N₂)]ClO₄·H₂O	F(000) = 868
M_r = 425.28	D_x = 1.718 Mg m⁻³
Monoclinic, P2₁/c	Melting point: 253 K
Hall symbol: -P 2ybc	Mo Kα radiation, λ = 0.71073 Å
a = 13.1807 (10) Å	Cell parameters from 4860 reflections
b = 8.2656 (6) Å	θ = 2.7–28.3°
c = 16.1195 (13) Å	µ = 1.53 mm⁻¹
β = 110.606 (2)°	T = 220 K
V = 1643.8 (2) Å³	Prism, dark blue
Z = 4	0.60 × 0.30 × 0.30 mm

Data collection top

Bruker SMART CCD area-detector diffractometer	3939 independent reflections
Radiation source: fine-focus sealed tube	3611 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.020
Detector resolution: 81.92 pixels mm^-1	θ_max = 28.3°, θ_min = 2.6°
ϕ scans	h = −17→17
Absorption correction: multi-scan (SADABS; Sheldrick, 1997)	k = −11→11
T_min = 0.460, T_max = 0.656	l = −20→21
13671 measured reflections

Refinement top

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)] = 0.033	Hydrogen site location: difference Fourier map
wR(F²) = 0.078	All H-atom parameters refined
S = 1.11	w = 1/[σ²(F_o²) + (0.0317P)² + 1.4344P] where P = (F_o² + 2F_c²)/3
3939 reflections	(Δ/σ)_max = 0.001
290 parameters	Δρ_max = 0.89 e Å⁻³
0 restraints	Δρ_min = −0.43 e Å⁻³

Crystal data top

[Cu(C₃H₆NO₂)(C₁₀H₈N₂)]ClO₄·H₂O	V = 1643.8 (2) Å³
M_r = 425.28	Z = 4
Monoclinic, P2₁/c	Mo Kα radiation
a = 13.1807 (10) Å	µ = 1.53 mm⁻¹
b = 8.2656 (6) Å	T = 220 K
c = 16.1195 (13) Å	0.60 × 0.30 × 0.30 mm
β = 110.606 (2)°

Data collection top

Bruker SMART CCD area-detector diffractometer	3939 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 1997)	3611 reflections with I > 2σ(I)
T_min = 0.460, T_max = 0.656	R_int = 0.020
13671 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.033	0 restraints
wR(F²) = 0.078	All H-atom parameters refined
S = 1.11	Δρ_max = 0.89 e Å⁻³
3939 reflections	Δρ_min = −0.43 e Å⁻³
290 parameters

Special details top

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

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Cu1	0.364703 (18)	0.28840 (3)	0.167573 (16)	0.02538 (8)
Cl1	0.17905 (4)	0.19812 (6)	−0.06197 (3)	0.02952 (11)
O1	0.43017 (11)	0.07522 (17)	0.20438 (10)	0.0300 (3)
O2	0.55154 (13)	−0.09670 (18)	0.18782 (10)	0.0365 (3)
O3	0.28355 (13)	0.1556 (3)	0.00253 (12)	0.0505 (4)
O4	0.16505 (15)	0.1197 (2)	−0.14439 (11)	0.0450 (4)
O5	0.17426 (19)	0.3705 (2)	−0.07423 (13)	0.0605 (5)
O6	0.09645 (14)	0.1466 (3)	−0.02883 (12)	0.0510 (4)
N1	0.28664 (13)	0.4972 (2)	0.12453 (11)	0.0275 (3)
N2	0.22426 (13)	0.2334 (2)	0.18192 (11)	0.0259 (3)
N3	0.49264 (17)	0.3247 (2)	0.13184 (19)	0.0391 (5)
C1	0.32627 (18)	0.6292 (3)	0.09841 (16)	0.0358 (5)
C2	0.2644 (2)	0.7669 (3)	0.06765 (17)	0.0398 (5)
C3	0.1579 (2)	0.7682 (3)	0.06305 (16)	0.0382 (5)
C4	0.11629 (18)	0.6331 (3)	0.09049 (15)	0.0350 (5)
C5	0.18218 (15)	0.4985 (2)	0.12098 (12)	0.0264 (4)
C6	0.19879 (18)	0.0907 (3)	0.20930 (14)	0.0330 (4)
C7	0.0946 (2)	0.0558 (3)	0.20633 (16)	0.0391 (5)
C8	0.01505 (19)	0.1715 (3)	0.17510 (16)	0.0391 (5)
C9	0.04044 (17)	0.3198 (3)	0.14800 (14)	0.0340 (4)
C10	0.14634 (15)	0.3474 (2)	0.15143 (12)	0.0264 (4)
C11	0.50804 (16)	0.0390 (2)	0.17798 (13)	0.0288 (4)
C12	0.5466 (2)	0.1693 (3)	0.12787 (19)	0.0429 (5)
C13	0.6666 (2)	0.1814 (4)	0.1552 (3)	0.0605 (8)
H2N3	0.482 (4)	0.357 (6)	0.087 (3)	0.098 (16)*
H1N3	0.536 (3)	0.384 (5)	0.170 (3)	0.083 (13)*
H1	0.398 (2)	0.628 (3)	0.1013 (17)	0.042 (7)*
H2	0.293 (2)	0.844 (4)	0.0488 (19)	0.048 (8)*
H3	0.116 (2)	0.855 (4)	0.0419 (17)	0.044 (7)*
H4	0.049 (2)	0.634 (4)	0.0873 (19)	0.054 (8)*
H6	0.257 (2)	0.014 (3)	0.2313 (16)	0.037 (6)*
H7	0.082 (2)	−0.043 (4)	0.2244 (18)	0.045 (7)*
H8	−0.057 (2)	0.151 (4)	0.1713 (18)	0.052 (8)*
H9	−0.014 (2)	0.401 (4)	0.1242 (18)	0.046 (7)*
H12	0.539 (3)	0.124 (5)	0.059 (3)	0.094 (12)*
H13A	0.691 (3)	0.261 (4)	0.116 (2)	0.073 (10)*
H13B	0.699 (3)	0.072 (5)	0.145 (2)	0.077 (11)*
H13C	0.691 (4)	0.225 (5)	0.228 (3)	0.105 (15)*
O7	0.4174 (2)	0.1391 (3)	0.41504 (15)	0.0516 (5)
H1O7	0.418 (3)	0.220 (4)	0.389 (2)	0.056 (10)*
H2O7	0.367 (4)	0.142 (7)	0.419 (3)	0.110 (19)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cu1	0.02196 (12)	0.01912 (12)	0.03468 (14)	0.00188 (8)	0.00948 (9)	0.00357 (9)
Cl1	0.0286 (2)	0.0299 (2)	0.0284 (2)	0.00289 (17)	0.00796 (18)	0.00106 (18)
O1	0.0300 (7)	0.0218 (7)	0.0391 (8)	0.0031 (5)	0.0133 (6)	0.0050 (6)
O2	0.0399 (8)	0.0251 (7)	0.0431 (8)	0.0101 (6)	0.0128 (7)	0.0037 (6)
O3	0.0284 (8)	0.0680 (13)	0.0458 (9)	0.0050 (8)	0.0016 (7)	0.0056 (9)
O4	0.0561 (10)	0.0443 (10)	0.0355 (8)	0.0040 (8)	0.0171 (7)	−0.0061 (7)
O5	0.0954 (16)	0.0274 (9)	0.0515 (11)	0.0022 (9)	0.0167 (10)	0.0023 (8)
O6	0.0375 (9)	0.0659 (13)	0.0562 (11)	0.0028 (8)	0.0248 (8)	0.0028 (9)
N1	0.0251 (8)	0.0227 (8)	0.0333 (8)	0.0019 (6)	0.0082 (6)	0.0011 (6)
N2	0.0253 (8)	0.0245 (8)	0.0276 (8)	−0.0015 (6)	0.0088 (6)	−0.0017 (6)
N3	0.0310 (10)	0.0249 (9)	0.0666 (15)	0.0059 (7)	0.0237 (10)	0.0115 (10)
C1	0.0320 (11)	0.0268 (10)	0.0480 (12)	0.0003 (8)	0.0132 (9)	0.0051 (9)
C2	0.0467 (13)	0.0245 (10)	0.0470 (13)	0.0005 (9)	0.0149 (10)	0.0051 (9)
C3	0.0416 (12)	0.0288 (11)	0.0378 (11)	0.0118 (9)	0.0062 (9)	0.0029 (9)
C4	0.0287 (10)	0.0347 (11)	0.0372 (11)	0.0091 (9)	0.0060 (8)	−0.0004 (9)
C5	0.0245 (9)	0.0263 (9)	0.0257 (9)	0.0023 (7)	0.0054 (7)	−0.0027 (7)
C6	0.0356 (11)	0.0284 (10)	0.0353 (10)	−0.0028 (8)	0.0131 (9)	−0.0010 (8)
C7	0.0436 (12)	0.0347 (12)	0.0442 (12)	−0.0134 (10)	0.0220 (10)	−0.0047 (10)
C8	0.0299 (10)	0.0483 (13)	0.0425 (12)	−0.0106 (10)	0.0168 (9)	−0.0093 (10)
C9	0.0254 (9)	0.0426 (12)	0.0337 (10)	−0.0007 (9)	0.0098 (8)	−0.0057 (9)
C10	0.0248 (9)	0.0289 (10)	0.0245 (8)	−0.0008 (7)	0.0074 (7)	−0.0049 (7)
C11	0.0261 (9)	0.0247 (9)	0.0309 (9)	0.0011 (7)	0.0042 (7)	0.0014 (8)
C12	0.0388 (12)	0.0332 (12)	0.0623 (15)	0.0089 (9)	0.0249 (11)	0.0115 (11)
C13	0.0427 (14)	0.0452 (15)	0.105 (3)	0.0125 (12)	0.0408 (16)	0.0190 (16)
O7	0.0602 (13)	0.0449 (11)	0.0585 (12)	0.0192 (9)	0.0318 (10)	0.0107 (9)

Geometric parameters (Å, º) top

Cu1—O1	1.9598 (14)	C2—H2	0.85 (3)
Cu1—N3	1.987 (2)	C3—C4	1.384 (4)
Cu1—N2	1.9970 (16)	C3—H3	0.90 (3)
Cu1—N1	2.0043 (17)	C4—C5	1.390 (3)
Cu1—O2ⁱ	2.3965 (16)	C4—H4	0.86 (3)
Cl1—O4	1.4307 (16)	C5—C10	1.479 (3)
Cl1—O6	1.4358 (18)	C6—C7	1.387 (3)
Cl1—O5	1.4365 (19)	C6—H6	0.96 (3)
Cl1—O3	1.4469 (16)	C7—C8	1.377 (4)
O1—C11	1.277 (2)	C7—H7	0.90 (3)
O2—C11	1.244 (2)	C8—C9	1.381 (3)
O2—Cu1ⁱⁱ	2.3965 (16)	C8—H8	0.95 (3)
N1—C1	1.340 (3)	C9—C10	1.396 (3)
N1—C5	1.358 (2)	C9—H9	0.96 (3)
N2—C6	1.343 (3)	C11—C12	1.536 (3)
N2—C10	1.353 (3)	C12—C13	1.488 (4)
N3—C12	1.481 (3)	C12—H12	1.15 (4)
N3—H2N3	0.74 (4)	C13—H13A	1.04 (4)
N3—H1N3	0.83 (4)	C13—H13B	1.04 (4)
C1—C2	1.386 (3)	C13—H13C	1.16 (5)
C1—H1	0.92 (3)	O7—H1O7	0.79 (4)
C2—C3	1.380 (4)	O7—H2O7	0.69 (5)

O1—Cu1—N3	83.99 (7)	C4—C3—H3	120.4 (18)
O1—Cu1—N2	95.03 (6)	C3—C4—C5	119.4 (2)
N3—Cu1—N2	169.62 (10)	C3—C4—H4	119 (2)
O1—Cu1—N1	175.41 (6)	C5—C4—H4	122 (2)
N3—Cu1—N1	98.87 (7)	N1—C5—C4	121.28 (19)
N2—Cu1—N1	81.51 (7)	N1—C5—C10	114.65 (16)
O1—Cu1—O2ⁱ	93.37 (6)	C4—C5—C10	124.07 (19)
N3—Cu1—O2ⁱ	94.28 (9)	N2—C6—C7	122.0 (2)
N2—Cu1—O2ⁱ	96.09 (6)	N2—C6—H6	116.2 (16)
N1—Cu1—O2ⁱ	90.00 (6)	C7—C6—H6	121.8 (16)
O4—Cl1—O6	110.13 (11)	C8—C7—C6	119.0 (2)
O4—Cl1—O5	109.66 (11)	C8—C7—H7	123.1 (18)
O6—Cl1—O5	110.07 (13)	C6—C7—H7	117.9 (18)
O4—Cl1—O3	109.65 (11)	C7—C8—C9	119.6 (2)
O6—Cl1—O3	108.38 (11)	C7—C8—H8	121.0 (19)
O5—Cl1—O3	108.93 (13)	C9—C8—H8	119.4 (19)
C11—O1—Cu1	115.46 (12)	C8—C9—C10	118.9 (2)
C11—O2—Cu1ⁱⁱ	121.01 (14)	C8—C9—H9	120.8 (17)
C1—N1—C5	118.82 (17)	C10—C9—H9	120.3 (17)
C1—N1—Cu1	126.92 (14)	N2—C10—C9	121.42 (19)
C5—N1—Cu1	114.25 (13)	N2—C10—C5	114.75 (16)
C6—N2—C10	119.06 (18)	C9—C10—C5	123.82 (19)
C6—N2—Cu1	125.95 (14)	O2—C11—O1	123.87 (19)
C10—N2—Cu1	114.56 (13)	O2—C11—C12	118.42 (19)
C12—N3—Cu1	110.57 (14)	O1—C11—C12	117.66 (18)
C12—N3—H2N3	101 (4)	N3—C12—C13	113.9 (2)
Cu1—N3—H2N3	117 (3)	N3—C12—C11	109.41 (19)
C12—N3—H1N3	109 (3)	C13—C12—C11	113.9 (2)
Cu1—N3—H1N3	108 (3)	N3—C12—H12	116 (2)
H2N3—N3—H1N3	111 (4)	C13—C12—H12	91.9 (19)
N1—C1—C2	122.4 (2)	C11—C12—H12	111 (2)
N1—C1—H1	118.5 (18)	C12—C13—H13A	113 (2)
C2—C1—H1	119.1 (18)	C12—C13—H13B	111 (2)
C3—C2—C1	119.0 (2)	H13A—C13—H13B	102 (3)
C3—C2—H2	123 (2)	C12—C13—H13C	102 (2)
C1—C2—H2	118 (2)	H13A—C13—H13C	113 (3)
C2—C3—C4	119.1 (2)	H13B—C13—H13C	117 (3)
C2—C3—H3	120.5 (18)	H1O7—O7—H2O7	102 (5)

Symmetry codes: (i) −x+1, y+1/2, −z+1/2; (ii) −x+1, y−1/2, −z+1/2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N3—H2N3···O7ⁱⁱⁱ	0.74 (4)	2.60 (4)	3.293 (4)	159 (5)
N3—H1N3···O1ⁱ	0.83 (4)	2.48 (4)	3.225 (3)	149 (3)
N3—H1N3···O2ⁱ	0.83 (4)	2.91 (4)	3.225 (3)	105 (3)
N3—H1N3···O7ⁱ	0.83 (4)	2.70 (5)	3.059 (3)	108 (3)
N3—H2N3···O7ⁱ	0.74 (4)	2.69 (5)	3.059 (3)	114 (4)
O7—H1O7···O2ⁱ	0.79 (4)	2.08 (4)	2.857 (3)	166 (3)

Symmetry codes: (i) −x+1, y+1/2, −z+1/2; (iii) x, −y+1/2, z−1/2.

Experimental details

Crystal data
Chemical formula	[Cu(C₃H₆NO₂)(C₁₀H₈N₂)]ClO₄·H₂O
M_r	425.28
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	220
a, b, c (Å)	13.1807 (10), 8.2656 (6), 16.1195 (13)
β (°)	110.606 (2)
V (Å³)	1643.8 (2)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	1.53
Crystal size (mm)	0.60 × 0.30 × 0.30

Data collection
Diffractometer	Bruker SMART CCD area-detector diffractometer
Absorption correction	Multi-scan (SADABS; Sheldrick, 1997)
T_min, T_max	0.460, 0.656
No. of measured, independent and observed [I > 2σ(I)] reflections	13671, 3939, 3611
R_int	0.020
(sin θ/λ)_max (Å⁻¹)	0.667

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.033, 0.078, 1.11
No. of reflections	3939
No. of parameters	290
H-atom treatment	All H-atom parameters refined
Δρ_max, Δρ_min (e Å⁻³)	0.89, −0.43

Computer programs: SMART (Bruker, 1998), SAINT (Bruker, 1998), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEP-3 for Windows (Farrugia, 1997) and DIAMOND (Brandenburg, 1999), WinGX (Farrugia, 1999).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N3—H2N3···O7ⁱ	0.74 (4)	2.60 (4)	3.293 (4)	159 (5)
N3—H1N3···O1ⁱⁱ	0.83 (4)	2.48 (4)	3.225 (3)	149 (3)
N3—H1N3···O2ⁱⁱ	0.83 (4)	2.91 (4)	3.225 (3)	105 (3)
N3—H1N3···O7ⁱⁱ	0.83 (4)	2.70 (5)	3.059 (3)	108 (3)
N3—H2N3···O7ⁱⁱ	0.74 (4)	2.69 (5)	3.059 (3)	114 (4)
O7—H1O7···O2ⁱⁱ	0.79 (4)	2.08 (4)	2.857 (3)	166 (3)

Symmetry codes: (i) x, −y+1/2, z−1/2; (ii) −x+1, y+1/2, −z+1/2.

Acknowledgements

The authors thank Professor Evamarie Hey-Hawkins for cooperation.

References

Antolini, L., Marcotrigiano, G., Menabue, L. & Pellacani, G. C. (1983). Inorg. Chem. 22, 141–145. CSD CrossRef CAS Web of Science Google Scholar
Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany. Google Scholar
Bruker (1998). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565. CrossRef IUCr Journals Google Scholar
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837–838. CrossRef CAS IUCr Journals Google Scholar
Masuda, H., Sugimori, T., Odani, A. & Yamauchi, O. (1991). Inorg. Chim. Acta, 180, 73–79. CSD CrossRef CAS Web of Science Google Scholar
Sgarabotto, P., Bisceglie, P., Pelosi, G. & Adbel-Rahman, L. (1999). Polyhedron, 18, 2505–2510. Web of Science CSD CrossRef CAS Google Scholar
Sheldrick, G. M. (1997). SADABS. University of Göttingen, Germany. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Solans, X., Ruíz-Ramírez, L., Martínez, A., Gasque, L. & Moreno-Esparza, R. (1992). Acta Cryst. C48, 1785–1788. CSD CrossRef CAS Web of Science IUCr Journals Google Scholar

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Volume 65| Part 1| January 2009| Page m51

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metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

catena-Poly[[[(2,2′-bipyrid­yl)copper(II)]-μ-L-alaninato] perchlorate monohydrate]

Related literature

Experimental

Crystal data

Data collection

Refinement

Supporting information

Acknowledgements

References

metal-organic compounds

catena-Poly[[[(2,2′-bipyridyl)copper(II)]-μ-L-alaninato] perchlorate monohydrate]