Poly[(μ(6)-6-oxidopyridinium-2-carboxyl-ato)caesium].

The asymmetric unit of the polymeric title salt, [Cs(C(6)H(4)NO(3))](n), comprises a Cs(+) cation and a 6-oxidopyridinium-2-carboxyl-ate anion. The Cs(+) cation is six-coordinated by O atoms derived from two oxido and four carboxyl-ate O atoms; each O atom in the anion bridges two Cs(+) cations. In the crystal, inter-molecular N-H⋯O hydrogen bonding is present and contributes to the stability of the three-dimensional network generated by the bridging O atoms.

Related literature

For general background to pyridine carb­oxy­lic complexes, see: Kang (2011 ▶); Lee & Kang (2010 ▶); Hong et al. (2008 ▶). For the Cs—O bond lengths in caesium aryl­oxide complexes, see: Ungaro et al. (1994 ▶); Clark et al. (1998 ▶); Weinert et al. (2003 ▶).

Experimental

Crystal data

[Cs(C6H4NO3)]

M = 271.01

Monoclinic,

a = 8.1746 (3) Å

b = 7.5513 (2) Å

c = 12.3843 (4) Å

β = 91.889 (1)°

V = 764.05 (4) Å3

Z = 4

Mo Kα radiation

μ = 4.8 mm−1

T = 296 K

0.10 × 0.07 × 0.06 mm

Data collection

Bruker SMART CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2002 ▶) T min = 0.654, T max = 0.745

6897 measured reflections

1822 independent reflections

1592 reflections with I > 2σ(I)

R int = 0.072

Refinement

R[F 2 > 2σ(F 2)] = 0.028

wR(F 2) = 0.072

S = 1.00

1822 reflections

104 parameters

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 1.19 e Å−3

Δρmin = −1.14 e Å−3

Data collection: SMART (Bruker, 2002 ▶); cell refinement: SAINT (Bruker, 2002 ▶); 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, 2010 ▶)’; software used to prepare material for publication: WinGX (Farrugia, 1999 ▶).

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536811031874/tk2776sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811031874/tk2776Isup2.hkl

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

[Cs(C6H4NO3)]	F(000) = 504
Mr = 271.01	Dx = 2.356 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 3429 reflections
a = 8.1746 (3) Å	θ = 2.5–28.3°
b = 7.5513 (2) Å	µ = 4.8 mm−1
c = 12.3843 (4) Å	T = 296 K
β = 91.889 (1)°	Block, colourless
V = 764.05 (4) Å3	0.1 × 0.07 × 0.06 mm
Z = 4

Bruker SMART CCD area-detector diffractometer	1592 reflections with I > 2σ(I)
φ and ω scans	Rint = 0.072
Absorption correction: multi-scan (SADABS; Bruker, 2002)	θmax = 28.3°, θmin = 2.5°
Tmin = 0.654, Tmax = 0.745	h = −3→10
6897 measured reflections	k = −10→7
1822 independent reflections	l = −15→15

Refinement on F2	0 restraints
Least-squares matrix: full	H atoms treated by a mixture of independent and constrained refinement
R[F2 > 2σ(F2)] = 0.028	w = 1/[σ2(Fo2) + (0.0401P)2] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.072	(Δ/σ)max = 0.001
S = 1.00	Δρmax = 1.19 e Å−3
1822 reflections	Δρmin = −1.14 e Å−3
104 parameters

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.

	x	y	z	Uiso*/Ueq
Cs1	0.51201 (2)	0.14792 (3)	0.127051 (18)	0.04196 (11)
N2	0.0320 (3)	0.2743 (4)	0.4216 (2)	0.0304 (5)
H2	0.088 (4)	0.348 (4)	0.446 (3)	0.028 (9)*
C3	0.1062 (3)	0.1326 (4)	0.3746 (3)	0.0291 (6)
C4	0.0159 (4)	−0.0019 (5)	0.3335 (3)	0.0402 (8)
H4	0.0655	−0.0992	0.3023	0.048*
C5	−0.1567 (4)	0.0085 (5)	0.3391 (3)	0.0474 (9)
H5	−0.221	−0.0826	0.3102	0.057*
C6	−0.2296 (4)	0.1484 (5)	0.3857 (3)	0.0444 (9)
H6	−0.343	0.152	0.3888	0.053*
C7	−0.1347 (3)	0.2903 (5)	0.4302 (3)	0.0334 (7)
C8	0.2926 (3)	0.1403 (4)	0.3700 (3)	0.0298 (6)
O9	0.3603 (3)	0.0066 (3)	0.3335 (2)	0.0487 (6)
O10	0.3588 (2)	0.2803 (4)	0.3984 (2)	0.0536 (7)
O11	−0.1942 (2)	0.4235 (3)	0.4750 (2)	0.0498 (7)

	U11	U22	U33	U12	U13	U23
Cs1	0.03869 (13)	0.03507 (16)	0.05252 (19)	−0.00018 (7)	0.00759 (9)	−0.00010 (9)
N2	0.0203 (10)	0.0308 (14)	0.0402 (16)	−0.0019 (10)	0.0026 (9)	−0.0062 (12)
C3	0.0234 (12)	0.0316 (16)	0.0324 (17)	0.0012 (10)	0.0034 (10)	0.0006 (12)
C4	0.0313 (14)	0.0409 (19)	0.049 (2)	−0.0026 (12)	0.0044 (12)	−0.0145 (16)
C5	0.0316 (15)	0.049 (2)	0.061 (3)	−0.0137 (14)	−0.0003 (14)	−0.0201 (18)
C6	0.0216 (13)	0.056 (2)	0.055 (2)	−0.0055 (12)	0.0003 (13)	−0.0125 (17)
C7	0.0209 (11)	0.0393 (17)	0.0401 (19)	0.0013 (11)	0.0030 (10)	−0.0036 (15)
C8	0.0226 (12)	0.0325 (17)	0.0346 (18)	0.0020 (10)	0.0045 (10)	0.0017 (12)
O9	0.0321 (11)	0.0421 (14)	0.0725 (19)	0.0074 (10)	0.0112 (10)	−0.0090 (13)
O10	0.0235 (9)	0.0383 (14)	0.099 (2)	−0.0025 (9)	0.0070 (11)	−0.0189 (15)
O11	0.0244 (10)	0.0483 (15)	0.0772 (19)	0.0022 (10)	0.0070 (10)	−0.0231 (14)

Cs1—O9i	2.938 (2)	C5—C6	1.352 (5)
Cs1—O10ii	2.991 (3)	C5—H5	0.93
Cs1—O9	3.070 (3)	C6—C7	1.423 (4)
Cs1—O10iii	3.105 (3)	C6—H6	0.93
Cs1—O11iv	3.147 (2)	C7—O11	1.254 (4)
Cs1—O11v	3.317 (2)	C8—O10	1.234 (4)
N2—C3	1.370 (4)	C8—O9	1.244 (4)
N2—C7	1.376 (3)	O9—Cs1ii	2.938 (2)
N2—H2	0.78 (3)	O10—Cs1i	2.991 (3)
C3—C4	1.345 (4)	O10—Cs1vi	3.105 (3)
C3—C8	1.527 (4)	O11—Cs1vii	3.147 (2)
C4—C5	1.418 (4)	O11—Cs1viii	3.317 (2)
C4—H4	0.93
O9i—Cs1—O10ii	138.47 (6)	C3—N2—C7	123.8 (3)
O9i—Cs1—O9	109.46 (5)	C3—N2—H2	118 (3)
O10ii—Cs1—O9	85.35 (7)	C7—N2—H2	119 (3)
O9i—Cs1—O10iii	96.96 (7)	C4—C3—N2	120.3 (3)
O10ii—Cs1—O10iii	101.48 (6)	C4—C3—C8	123.4 (3)
O9—Cs1—O10iii	131.16 (6)	N2—C3—C8	116.3 (2)
O9i—Cs1—O11iv	89.05 (7)	C3—C4—C5	118.3 (3)
O10ii—Cs1—O11iv	59.91 (6)	C3—C4—H4	120.8
O9—Cs1—O11iv	140.90 (6)	C5—C4—H4	120.8
O10iii—Cs1—O11iv	77.13 (6)	C6—C5—C4	121.1 (3)
O9i—Cs1—O11v	143.52 (6)	C6—C5—H5	119.4
O10ii—Cs1—O11v	76.13 (6)	C4—C5—H5	119.4
O9—Cs1—O11v	78.86 (6)	C5—C6—C7	120.8 (3)
O10iii—Cs1—O11v	56.95 (6)	C5—C6—H6	119.6
O11iv—Cs1—O11v	106.75 (4)	C7—C6—H6	119.6
O9i—Cs1—O10	74.53 (6)	O11—C7—N2	120.3 (3)
O10ii—Cs1—O10	118.05 (6)	O11—C7—C6	124.1 (3)
O9—Cs1—O10	36.14 (6)	N2—C7—C6	115.6 (3)
O10iii—Cs1—O10	129.22 (5)	O10—C8—O9	127.1 (3)
O11iv—Cs1—O10	149.72 (6)	O10—C8—C3	116.8 (3)
O11v—Cs1—O10	101.34 (6)	O9—C8—C3	116.0 (3)
O9i—Cs1—C7iv	74.04 (7)	Cs1ii—O9—Cs1	107.94 (7)
O10ii—Cs1—C7iv	76.81 (7)	Cs1i—O10—Cs1vi	78.52 (6)
O9—Cs1—C7iv	153.81 (6)	Cs1i—O10—Cs1	91.33 (7)
O10iii—Cs1—C7iv	72.02 (6)	Cs1vi—O10—Cs1	136.48 (6)
O11iv—Cs1—C7iv	16.91 (7)	Cs1vii—O11—Cs1viii	73.25 (4)
O11v—Cs1—C7iv	114.40 (7)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2···O11ix	0.78 (3)	2.15 (3)	2.915 (4)	168 (3)

Table 1

Selected bond lengths (Å)

Cs1—O9i	2.938 (2)
Cs1—O10ii	2.991 (3)
Cs1—O9	3.070 (3)
Cs1—O10iii	3.105 (3)
Cs1—O11iv	3.147 (2)
Cs1—O11v	3.317 (2)

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

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N2—H2⋯O11vi	0.78 (3)	2.15 (3)	2.915 (4)	168 (3)

Symmetry code: (vi) .