catena-Poly[zinc(II)-μ(3)-{hydrogen [1-hydr-oxy-2-(3-pyridinio)ethane-1,1-di-yl]diphospho-nato}].

In the polymeric title compound, [Zn(C(7)H(9)NO(7)P(2))](n), the zinc(II) centre displays a tetra-hedral coordination geometry provided by four O atoms from three different phospho-nate groups. The crystal structure consists of ladder chains parallel to the b axis built up from vertex-sharing of ZnO(4) and PO(3)C tetra-hedra. The chains are linked by strong intra- and inter-chain O-H⋯O and N-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular assembly.

Related literature

For the chemistry and applications of phospho­nate metal derivatives, see: Clearfield (1998 ▶); Cheetham et al. (1999 ▶); Maeda (2004 ▶); Gossman et al. (2003 ▶); Redman-Furey et al. (2005 ▶); Mao et al. (2006 ▶); Stahl et al. (2006 ▶); Zhu et al. (2000 ▶); Burkholder et al. (2003 ▶); Bauer et al. (2007 ▶); Du et al. (2007 ▶). For examples of structure types exhibited by phospho­nate n class="Chemical">metal derivatives, see: Fu et al. (2006 ▶); Yang et al. (2007 ▶). For related structures, see: Zhang & Zheng (2008 ▶); Zhang, Gao & Zheng (2007 ▶); Zhang, Bao & Zheng (2007 ▶); Hu et al. (2008 ▶).

Experimental

Crystal data

[Zn(n class="CellLine">C7H9NO7P2)]

M = 346.46

Monoclinic,

a = 13.609 (3) Å

b = 5.4809 (11) Å

c = 14.818 (3) Å

β = 101.21 (3)°

V = 1084.2 (4) Å3

Z = 4

Mo Kα radiation

μ = 2.59 mm−1

T = 293 K

0.20 × 0.12 × 0.08 mm

Data collection

Rigaku Mercury CCD area-detector diffractometer

Absorption correction: multi-scan (RAPID-AUTO; Rigaku, 1998 ▶) T min = 0.626, T max = 0.820

8250 measured reflections

2519 independent reflections

2473 reflections with I > 2σ(I)

R int = 0.025

Refinement

R[F 2 > 2σ(F 2)] = 0.026

wR(F 2) = 0.061

S = 1.04

2519 reflections

163 parameters

H-atom parameters constrained

Δρmax = 0.35 e Å−3

Δρmin = −0.32 e Å−3

Data collection: CrystalClear (Rigaku, 2002 ▶); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL/PC (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL/PC.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809052702/rz2390sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809052702/rz2390Isup2.hkl

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

[Zn(C7H9NO7P2)]	F(000) = 696
Mr = 346.46	Dx = 2.123 Mg m−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 3898 reflections
a = 13.609 (3) Å	θ = 3.1–27.7°
b = 5.4809 (11) Å	µ = 2.59 mm−1
c = 14.818 (3) Å	T = 293 K
β = 101.21 (3)°	Block, colorless
V = 1084.2 (4) Å3	0.20 × 0.12 × 0.08 mm
Z = 4

Rigaku Mercury CCD area-detector diffractometer	2519 independent reflections
Radiation source: fine-focus sealed tube	2473 reflections with I > 2σ(I)
graphite	Rint = 0.025
ω scans	θmax = 27.7°, θmin = 3.7°
Absorption correction: multi-scan (RAPID-AUTO; Rigaku, 1998)	h = −17→17
Tmin = 0.626, Tmax = 0.820	k = −7→7
8250 measured reflections	l = −19→18

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)] = 0.026	Hydrogen site location: mixed
wR(F2) = 0.061	H-atom parameters constrained
S = 1.04	w = 1/[σ2(Fo2) + (0.0218P)2 + 1.6938P] where P = (Fo2 + 2Fc2)/3
2519 reflections	(Δ/σ)max = 0.001
163 parameters	Δρmax = 0.35 e Å−3
0 restraints	Δρmin = −0.32 e Å−3

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.

	x	y	z	Uiso*/Ueq
Zn1	0.412237 (17)	0.25347 (4)	0.425508 (16)	0.01698 (8)
P1	0.29107 (4)	0.76285 (9)	0.37901 (3)	0.01399 (11)
P2	0.36304 (4)	0.92659 (9)	0.57727 (3)	0.01507 (11)
O1	0.32521 (11)	1.0088 (3)	0.34936 (9)	0.0191 (3)
O2	0.36616 (12)	0.5657 (3)	0.37738 (10)	0.0234 (3)
O3	0.18869 (11)	0.6951 (3)	0.31670 (10)	0.0253 (3)
H3	0.1983	0.6398	0.2677	0.038*
O4	0.37845 (11)	1.1832 (3)	0.54302 (10)	0.0201 (3)
O5	0.44985 (11)	0.7562 (3)	0.57500 (12)	0.0259 (3)
O6	0.33324 (11)	0.9324 (3)	0.66920 (9)	0.0234 (3)
O7	0.23742 (11)	0.5508 (3)	0.52251 (10)	0.0211 (3)
H7	0.2870	0.4642	0.5252	0.032*
N1	0.10323 (14)	1.1013 (4)	0.71483 (12)	0.0263 (4)
H1	0.1173	1.2169	0.7545	0.032*
C1	0.25880 (14)	0.7897 (4)	0.49374 (13)	0.0149 (4)
C2	0.16165 (15)	0.9394 (4)	0.48646 (13)	0.0190 (4)
H2A	0.1753	1.1076	0.4727	0.023*
H2B	0.1121	0.8769	0.4357	0.023*
C3	0.11892 (14)	0.9324 (4)	0.57271 (13)	0.0179 (4)
C4	0.06000 (17)	0.7409 (4)	0.59111 (16)	0.0243 (5)
H4A	0.0452	0.6148	0.5487	0.029*
C5	0.02268 (19)	0.7328 (4)	0.67077 (17)	0.0295 (5)
H5A	−0.0182	0.6046	0.6819	0.035*
C6	0.04682 (18)	0.9168 (5)	0.73327 (16)	0.0301 (5)
H6A	0.0239	0.9131	0.7884	0.036*
C7	0.13858 (16)	1.1135 (4)	0.63744 (14)	0.0219 (4)
H7A	0.1772	1.2468	0.6271	0.026*

	U11	U22	U33	U12	U13	U23
Zn1	0.01774 (13)	0.01540 (13)	0.01787 (13)	0.00121 (9)	0.00364 (9)	0.00309 (9)
P1	0.0176 (2)	0.0121 (2)	0.0126 (2)	0.00126 (18)	0.00362 (18)	0.00007 (17)
P2	0.0160 (2)	0.0159 (2)	0.0129 (2)	0.00092 (19)	0.00195 (17)	0.00233 (18)
O1	0.0284 (8)	0.0145 (7)	0.0134 (6)	−0.0008 (6)	0.0019 (5)	0.0020 (5)
O2	0.0305 (8)	0.0180 (7)	0.0246 (7)	0.0093 (6)	0.0122 (6)	0.0046 (6)
O3	0.0231 (8)	0.0350 (9)	0.0175 (7)	−0.0036 (7)	0.0033 (6)	−0.0101 (6)
O4	0.0286 (8)	0.0158 (7)	0.0158 (7)	−0.0013 (6)	0.0044 (6)	0.0013 (6)
O5	0.0165 (7)	0.0231 (8)	0.0373 (9)	0.0042 (6)	0.0033 (6)	0.0036 (7)
O6	0.0264 (8)	0.0304 (8)	0.0135 (6)	0.0012 (7)	0.0040 (6)	0.0025 (6)
O7	0.0232 (7)	0.0145 (7)	0.0280 (8)	0.0001 (6)	0.0108 (6)	0.0037 (6)
N1	0.0304 (10)	0.0289 (10)	0.0197 (9)	0.0020 (8)	0.0050 (7)	−0.0083 (8)
C1	0.0169 (9)	0.0137 (9)	0.0144 (9)	0.0009 (7)	0.0040 (7)	0.0007 (7)
C2	0.0181 (9)	0.0222 (10)	0.0166 (9)	0.0047 (8)	0.0030 (7)	−0.0022 (8)
C3	0.0157 (9)	0.0216 (10)	0.0158 (9)	0.0043 (8)	0.0017 (7)	−0.0026 (8)
C4	0.0226 (10)	0.0243 (11)	0.0253 (11)	−0.0011 (8)	0.0033 (8)	−0.0077 (9)
C5	0.0290 (12)	0.0286 (12)	0.0331 (12)	−0.0038 (9)	0.0116 (10)	0.0025 (10)
C6	0.0342 (12)	0.0360 (13)	0.0222 (10)	0.0064 (10)	0.0106 (9)	0.0013 (10)
C7	0.0207 (10)	0.0222 (10)	0.0234 (10)	0.0011 (8)	0.0059 (8)	−0.0040 (9)

Zn1—O5i	1.8791 (16)	O7—H7	0.8201
Zn1—O2	1.9121 (15)	N1—C7	1.329 (3)
Zn1—O4ii	1.9243 (15)	N1—C6	1.330 (3)
Zn1—O1ii	1.9888 (15)	N1—H1	0.8600
P1—O2	1.4907 (15)	C1—C2	1.542 (3)
P1—O1	1.5182 (15)	C2—C3	1.504 (3)
P1—O3	1.5594 (16)	C2—H2A	0.9700
P1—C1	1.843 (2)	C2—H2B	0.9700
P2—O6	1.4953 (15)	C3—C7	1.370 (3)
P2—O5	1.5115 (16)	C3—C4	1.380 (3)
P2—O4	1.5236 (15)	C4—C5	1.373 (3)
P2—C1	1.851 (2)	C4—H4A	0.9300
O1—Zn1iii	1.9888 (15)	C5—C6	1.366 (3)
O3—H3	0.8200	C5—H5A	0.9300
O4—Zn1iii	1.9243 (15)	C6—H6A	0.9300
O5—Zn1i	1.8791 (16)	C7—H7A	0.9300
O7—C1	1.424 (2)
O5i—Zn1—O2	106.21 (7)	O7—C1—C2	106.72 (16)
O5i—Zn1—O4ii	114.36 (7)	O7—C1—P1	107.57 (13)
O2—Zn1—O4ii	113.44 (6)	C2—C1—P1	109.45 (13)
O5i—Zn1—O1ii	117.63 (7)	O7—C1—P2	110.31 (13)
O2—Zn1—O1ii	106.02 (7)	C2—C1—P2	111.50 (14)
O4ii—Zn1—O1ii	99.08 (6)	P1—C1—P2	111.12 (10)
O2—P1—O1	112.93 (9)	C3—C2—C1	113.26 (16)
O2—P1—O3	110.75 (9)	C3—C2—H2A	108.9
O1—P1—O3	109.18 (9)	C1—C2—H2A	108.9
O2—P1—C1	111.10 (9)	C3—C2—H2B	108.9
O1—P1—C1	109.71 (9)	C1—C2—H2B	108.9
O3—P1—C1	102.68 (9)	H2A—C2—H2B	107.7
O6—P2—O5	112.64 (10)	C7—C3—C4	117.04 (19)
O6—P2—O4	111.29 (9)	C7—C3—C2	121.41 (19)
O5—P2—O4	113.84 (9)	C4—C3—C2	121.53 (19)
O6—P2—C1	108.04 (9)	C5—C4—C3	121.4 (2)
O5—P2—C1	103.62 (9)	C5—C4—H4A	119.3
O4—P2—C1	106.78 (9)	C3—C4—H4A	119.3
P1—O1—Zn1iii	128.06 (8)	C6—C5—C4	118.6 (2)
P1—O2—Zn1	144.97 (10)	C6—C5—H5A	120.7
P1—O3—H3	109.5	C4—C5—H5A	120.7
P2—O4—Zn1iii	123.97 (9)	N1—C6—C5	119.7 (2)
P2—O5—Zn1i	143.43 (10)	N1—C6—H6A	120.2
C1—O7—H7	109.4	C5—C6—H6A	120.2
C7—N1—C6	122.4 (2)	N1—C7—C3	120.9 (2)
C7—N1—H1	118.8	N1—C7—H7A	119.6
C6—N1—H1	118.8	C3—C7—H7A	119.6

D—H···A	D—H	H···A	D···A	D—H···A
O3—H3···O1iv	0.82	1.85	2.637 (2)	161
N1—H1···O6v	0.86	1.68	2.533 (2)	170
O7—H7···O4ii	0.82	1.97	2.758 (2)	163

Table 1

Selected bond lengths (Å)

Zn1—O5i	1.8791 (16)
Zn1—O2	1.9121 (15)
Zn1—O4ii	1.9243 (15)
Zn1—O1ii	1.9888 (15)
P1—O2	1.4907 (15)
P1—O1	1.5182 (15)
P1—O3	1.5594 (16)
P1—C1	1.843 (2)
P2—O6	1.4953 (15)
P2—O5	1.5115 (16)
P2—O4	1.5236 (15)
P2—C1	1.851 (2)

Symmetry codes: (i) ; (ii) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H3⋯O1iii	0.82	1.85	2.637 (2)	161
N1—H1⋯O6iv	0.86	1.68	2.533 (2)	170
O7—H7⋯O4ii	0.82	1.97	2.758 (2)	163

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