Poly[diaqua-bis(μ-azido-κN:N)bis-(μ(3)-1-oxoisonicotinato-κO:O':O'')dicadmium(II)].

In the title compound, [Cd(2)(C(6)H(4)NO(3))(2)(N(3))(2)(H(2)O)(2)](n), one Cd(II) atom is located on an inversion center and is coordinated by four O atoms from four bridging 1-oxoisonicotinate ligands and two N atoms of two bridging azide ligands in a slightly distorted octa-hedral geometry. The other Cd(II) atom, also lying on an inversion center, is coordinated by four O atoms from two bridging 1-oxoisonicotinate ligands and two water mol-ecules and two N atoms of two bridging azide ligands in a slightly distorted octa-hedral geometry. The Cd atoms are connected via the 1-oxoisonicotinate and azide ligands into a two-dimensional coordination network. The crystal structure involves O-H⋯N and O-H⋯O hydrogen bonds.

Related literature

For general background, see: Du et al. (2006 ▶); Dybtsev et al. (2004 ▶). For related structures, see: Bai et al. (2004 ▶); He et al. (2005 ▶); Zhao et al. (2007 ▶).

Experimental

Crystal data

[Cd2(C6H4n class="Chemical">NO3)2(N3)2(H2O)2]

M = 621.10

Triclinic,

a = 6.5409 (17) Å

b = 7.850 (2) Å

c = 9.410 (3) Å

α = 99.668 (6)°

β = 97.164 (6)°

γ = 107.566 (5)°

V = 446.1 (2) Å3

Z = 1

Mo Kα radiation

μ = 2.45 mm−1

T = 223 (2) K

0.3 × 0.2 × 0.2 mm

Data collection

Rigaku Scxmini 1K CCD area-detector diffractometer

Absorption correction: multi-scan (CrystalClear; Rigaku, 2005 ▶) T min = 0.612, T max = 0.613

5082 measured reflections

1567 independent reflections

1438 reflections with I > 2σ(I)

R int = 0.022

Refinement

R[F 2 > 2σ(F 2)] = 0.033

wR(F 2) = 0.087

S = 1.08

1567 reflections

139 parameters

1 restraint

H-atom parameters constrained

Δρmax = 0.60 e Å−3

Δρmin = −1.02 e Å−3

Data collection: CrystalClear (Rigaku, 2005 ▶); 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: Mercury (Macrae et al., 2006 ▶) and SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808013196/hy2123sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808013196/hy2123Isup2.hkl

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

[Cd2(C6H4NO3)2(N3)2(H2O)2]	Z = 1
Mr = 621.10	F(000) = 300
Triclinic, P1	Dx = 2.312 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 6.5409 (17) Å	Cell parameters from 2159 reflections
b = 7.850 (2) Å	θ = 3.1–26.8°
c = 9.410 (3) Å	µ = 2.45 mm−1
α = 99.668 (6)°	T = 223 K
β = 97.164 (6)°	Block, colorless
γ = 107.566 (5)°	0.3 × 0.2 × 0.2 mm
V = 446.1 (2) Å3

Rigaku Scxmini 1K CCD area-detector diffractometer	1567 independent reflections
Radiation source: fine-focus sealed tube	1438 reflections with I > 2σ(I)
graphite	Rint = 0.022
Detector resolution: 8.192 pixels mm-1	θmax = 25.0°, θmin = 2.8°
thin–slice ω scans	h = −7→7
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005)	k = −9→7
Tmin = 0.612, Tmax = 0.613	l = −11→10
5082 measured reflections

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: inferred from neighbouring sites
wR(F2) = 0.087	H-atom parameters constrained
S = 1.08	w = 1/[σ2(Fo2) + (0.05P)2 + 1.3747P] where P = (Fo2 + 2Fc2)/3
1567 reflections	(Δ/σ)max < 0.001
139 parameters	Δρmax = 0.60 e Å−3
1 restraint	Δρmin = −1.02 e Å−3

	x	y	z	Uiso*/Ueq
Cd1	0.0000	0.5000	0.5000	0.01556 (17)
Cd2	0.0000	0.0000	0.5000	0.01683 (17)
O1	0.1884 (5)	0.4600 (4)	0.7066 (3)	0.0244 (7)
O2	0.0598 (6)	0.1674 (4)	0.7283 (3)	0.0311 (8)
O3	0.3130 (5)	0.5495 (5)	1.3892 (3)	0.0270 (7)
O4	0.3676 (5)	0.1301 (5)	0.4778 (4)	0.0295 (8)
H4B	0.4361	0.2055	0.5546	0.035*
H4C	0.4127	0.0951	0.3945	0.035*
N1	0.1164 (6)	0.7997 (5)	0.6110 (4)	0.0201 (8)
N2	0.2664 (6)	0.8640 (5)	0.7131 (4)	0.0227 (8)
N3	0.4108 (8)	0.9283 (6)	0.8078 (6)	0.0506 (14)
N4	0.2847 (6)	0.5005 (5)	1.2437 (4)	0.0208 (8)
C1	0.3105 (6)	0.6288 (6)	1.1625 (5)	0.0213 (9)
H1A	0.3534	0.7529	1.2095	0.026*
C2	0.2752 (6)	0.5808 (6)	1.0126 (5)	0.0171 (8)
H2A	0.2954	0.6714	0.9569	0.021*
C3	0.2086 (6)	0.3959 (6)	0.9430 (4)	0.0168 (8)
C4	0.1925 (7)	0.2671 (6)	1.0312 (5)	0.0216 (9)
H4A	0.1547	0.1423	0.9873	0.026*
C5	0.2314 (7)	0.3216 (6)	1.1804 (5)	0.0240 (9)
H5A	0.2211	0.2345	1.2391	0.029*
C6	0.1483 (7)	0.3368 (6)	0.7782 (5)	0.0189 (9)

	U11	U22	U33	U12	U13	U23
Cd1	0.0215 (3)	0.0136 (2)	0.0112 (2)	0.00553 (18)	0.00313 (17)	0.00218 (17)
Cd2	0.0216 (3)	0.0152 (3)	0.0132 (3)	0.00717 (18)	0.00221 (17)	0.00086 (17)
O1	0.0288 (16)	0.0273 (17)	0.0148 (15)	0.0069 (14)	0.0003 (12)	0.0050 (13)
O2	0.049 (2)	0.0251 (18)	0.0161 (15)	0.0136 (16)	0.0021 (14)	−0.0019 (13)
O3	0.0253 (16)	0.0362 (19)	0.0095 (15)	−0.0004 (14)	0.0045 (12)	−0.0036 (13)
O4	0.0259 (17)	0.0337 (19)	0.0214 (17)	0.0014 (15)	0.0050 (14)	0.0010 (14)
N1	0.028 (2)	0.0120 (16)	0.0175 (18)	0.0069 (15)	−0.0020 (16)	0.0005 (14)
N2	0.027 (2)	0.0149 (17)	0.027 (2)	0.0079 (16)	0.0011 (19)	0.0071 (16)
N3	0.054 (3)	0.024 (2)	0.055 (3)	0.004 (2)	−0.029 (3)	0.003 (2)
N4	0.0178 (17)	0.028 (2)	0.0146 (17)	0.0054 (15)	0.0059 (14)	0.0020 (15)
C1	0.0146 (19)	0.024 (2)	0.022 (2)	0.0038 (17)	0.0020 (17)	0.0015 (18)
C2	0.0159 (19)	0.020 (2)	0.018 (2)	0.0079 (16)	0.0050 (16)	0.0061 (16)
C3	0.0133 (18)	0.020 (2)	0.017 (2)	0.0061 (16)	0.0044 (16)	0.0029 (16)
C4	0.030 (2)	0.017 (2)	0.020 (2)	0.0099 (18)	0.0079 (18)	0.0047 (17)
C5	0.025 (2)	0.028 (2)	0.017 (2)	0.0057 (19)	0.0076 (18)	0.0046 (18)
C6	0.017 (2)	0.027 (2)	0.016 (2)	0.0120 (18)	0.0034 (16)	0.0047 (18)

Cd1—N1	2.259 (3)	O4—H4B	0.8300
Cd1—N1i	2.259 (3)	O4—H4C	0.9000
Cd1—O1	2.289 (3)	N1—N2	1.201 (5)
Cd1—O1i	2.289 (3)	N1—Cd2vii	2.284 (3)
Cd1—O3ii	2.370 (3)	N2—N3	1.137 (6)
Cd1—O3iii	2.370 (3)	N4—C1	1.347 (6)
Cd2—O2	2.242 (3)	N4—C5	1.349 (6)
Cd2—O2iv	2.242 (3)	C1—C2	1.369 (6)
Cd2—N1v	2.284 (3)	C1—H1A	0.9400
Cd2—N1i	2.284 (3)	C2—C3	1.397 (6)
Cd2—O4iv	2.363 (3)	C2—H2A	0.9400
Cd2—O4	2.363 (3)	C3—C4	1.401 (6)
O1—C6	1.252 (5)	C3—C6	1.507 (6)
O2—C6	1.257 (5)	C4—C5	1.365 (6)
O3—N4	1.332 (5)	C4—H4A	0.9400
O3—Cd1vi	2.370 (3)	C5—H5A	0.9400
N1—Cd1—N1i	180.000 (1)	C6—O2—Cd2	130.6 (3)
N1—Cd1—O1	85.90 (12)	N4—O3—Cd1vi	118.5 (2)
N1i—Cd1—O1	94.10 (12)	Cd2—O4—H4B	109.5
N1—Cd1—O1i	94.10 (12)	Cd2—O4—H4C	120.1
N1i—Cd1—O1i	85.90 (12)	H4B—O4—H4C	130.4
O1—Cd1—O1i	180.0	N2—N1—Cd1	122.0 (3)
N1—Cd1—O3ii	90.18 (12)	N2—N1—Cd2vii	117.2 (3)
N1i—Cd1—O3ii	89.82 (12)	Cd1—N1—Cd2vii	119.53 (15)
O1—Cd1—O3ii	89.01 (11)	N3—N2—N1	178.2 (5)
O1i—Cd1—O3ii	90.99 (11)	O3—N4—C1	120.0 (4)
N1—Cd1—O3iii	89.82 (12)	O3—N4—C5	118.9 (4)
N1i—Cd1—O3iii	90.18 (12)	C1—N4—C5	121.2 (4)
O1—Cd1—O3iii	90.99 (11)	N4—C1—C2	120.9 (4)
O1i—Cd1—O3iii	89.01 (11)	N4—C1—H1A	119.5
O3ii—Cd1—O3iii	180.0	C2—C1—H1A	119.5
O2—Cd2—O2iv	180.0	C1—C2—C3	119.4 (4)
O2—Cd2—N1v	85.06 (12)	C1—C2—H2A	120.3
O2iv—Cd2—N1v	94.94 (12)	C3—C2—H2A	120.3
O2—Cd2—N1i	94.94 (12)	C2—C3—C4	118.0 (4)
O2iv—Cd2—N1i	85.06 (12)	C2—C3—C6	120.9 (4)
N1v—Cd2—N1i	180.000 (1)	C4—C3—C6	121.1 (4)
O2—Cd2—O4iv	87.87 (12)	C5—C4—C3	120.4 (4)
O2iv—Cd2—O4iv	92.13 (12)	C5—C4—H4A	119.8
N1v—Cd2—O4iv	94.08 (12)	C3—C4—H4A	119.8
N1i—Cd2—O4iv	85.92 (12)	N4—C5—C4	119.9 (4)
O2—Cd2—O4	92.13 (12)	N4—C5—H5A	120.0
O2iv—Cd2—O4	87.87 (12)	C4—C5—H5A	120.0
N1v—Cd2—O4	85.92 (12)	O1—C6—O2	127.4 (4)
N1i—Cd2—O4	94.08 (12)	O1—C6—C3	117.1 (4)
O4iv—Cd2—O4	180.0	O2—C6—C3	115.5 (4)
C6—O1—Cd1	132.5 (3)
N1—Cd1—O1—C6	141.5 (4)	O3—N4—C1—C2	−177.8 (4)
N1i—Cd1—O1—C6	−38.5 (4)	C5—N4—C1—C2	2.5 (6)
O3ii—Cd1—O1—C6	51.2 (4)	N4—C1—C2—C3	0.8 (6)
O3iii—Cd1—O1—C6	−128.8 (4)	C1—C2—C3—C4	−3.5 (6)
N1v—Cd2—O2—C6	136.6 (4)	C1—C2—C3—C6	174.4 (4)
N1i—Cd2—O2—C6	−43.4 (4)	C2—C3—C4—C5	2.9 (6)
O4iv—Cd2—O2—C6	−129.1 (4)	C6—C3—C4—C5	−174.9 (4)
O4—Cd2—O2—C6	50.9 (4)	O3—N4—C5—C4	177.2 (4)
O1—Cd1—N1—N2	17.4 (4)	C1—N4—C5—C4	−3.1 (6)
O1i—Cd1—N1—N2	−162.6 (4)	C3—C4—C5—N4	0.3 (7)
O3ii—Cd1—N1—N2	106.4 (4)	Cd1—O1—C6—O2	38.1 (7)
O3iii—Cd1—N1—N2	−73.6 (4)	Cd1—O1—C6—C3	−140.8 (3)
O1—Cd1—N1—Cd2vii	−176.10 (19)	Cd2—O2—C6—O1	15.1 (7)
O1i—Cd1—N1—Cd2vii	3.90 (19)	Cd2—O2—C6—C3	−166.0 (3)
O3ii—Cd1—N1—Cd2vii	−87.11 (18)	C2—C3—C6—O1	9.4 (6)
O3iii—Cd1—N1—Cd2vii	92.89 (18)	C4—C3—C6—O1	−172.8 (4)
Cd1vi—O3—N4—C1	103.7 (4)	C2—C3—C6—O2	−169.6 (4)
Cd1vi—O3—N4—C5	−76.7 (4)	C4—C3—C6—O2	8.1 (6)

D—H···A	D—H	H···A	D···A	D—H···A
O4—H4C···N3viii	0.90	2.36	3.239 (7)	167
O4—H4B···O3ix	0.83	2.05	2.716 (4)	137

Cd1—N1	2.259 (3)
Cd1—O1	2.289 (3)
Cd1—O3i	2.370 (3)
Cd2—O2	2.242 (3)
Cd2—N1ii	2.284 (3)
Cd2—O4	2.363 (3)

N1—Cd1—O1	85.90 (12)
N1iii—Cd1—O1	94.10 (12)
N1—Cd1—O3i	90.18 (12)
O1—Cd1—O3i	89.01 (11)
N1—Cd1—O3iv	89.82 (12)
O2—Cd2—N1ii	85.06 (12)
O2—Cd2—O4v	87.87 (12)
O2v—Cd2—O4v	92.13 (12)
N1ii—Cd2—O4v	94.08 (12)
N1iii—Cd2—O4v	85.92 (12)

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
O4—H4C⋯N3vi	0.90	2.36	3.239 (7)	167
O4—H4B⋯O3vii	0.83	2.05	2.716 (4)	137

Symmetry codes: (vi) ; (vii) .