Poly[(μ(2)-azido-κN:N)[μ(2)-5-(8-quinolyloxymeth-yl)tetra-zolato-κN,O,N:N]manganese(II)].

In the structure of the title compound, [Mn(C(11)H(8)N(5)O)(N(3))](n), the Mn atoms are hexa-coordinated by five N atoms and one O atom. The coordination polyhedron of the Mn atom is a slightly distorted octa-hedron. The Mn atoms are connected by azide anions with a μ(2)-1,1 mode and by 5-(8-quinolyloxymeth-yl)tetra-zolate ligands in a μ(2)-η(1)(N),η(3)-(N,N,O) fashion to form a two-dimensional framework parallel to the (100) plane. Geometric parameters of the organic ligand are in the normal ranges and the dihedral angle between the quinoline ring system and the tetra-zole unit is 7.41 (15)°. The structure involves intra- and inter-molecular C-H⋯N hydrogen bonds.

Related literature

For the use of tetra­zole derivatives in coordination chemistry, see: Wang et al. (2005 ▶); Xiong et al. (2002 ▶). For the crystal structure of a tetra­zole derivative, see: Wang & Ye (2007 ▶); For the synthesis of 8-cyanato­quinoline, see: Luo & Ye (2008 ▶).

Experimental

Crystal data

[Mn(C11H8N5O)(N3)]

M = 323.19

Monoclinic,

a = 10.431 (2) Å

b = 14.431 (3) Å

c = 8.589 (2) Å

β = 90.676 (18)°

V = 1292.8 (5) Å3

Z = 4

Mo Kα radiation

μ = 1.03 mm−1

T = 293 (2) K

0.20 × 0.16 × 0.12 mm

Data collection

Rigaku, SCXmini diffractometer

Absorption correction: multi-scan (CrystalClear; Rigaku, 2005 ▶) T min = 0.820, T max = 0.886

13382 measured reflections

3074 independent reflections

2472 reflections with I > 2σ(I)

R int = 0.054

Refinement

R[F 2 > 2σ(F 2)] = 0.046

wR(F 2) = 0.105

S = 1.11

3074 reflections

190 parameters

H-atom parameters constrained

Δρmax = 0.32 e Å−3

Δρmin = −0.41 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: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808022617/rk2100sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808022617/rk2100Isup2.hkl

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

[Mn(C11H8N5O)(N3)]	F000 = 652
Mr = 323.19	Dx = 1.661 Mg m−3
Monoclinic, P21/c	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 3074 reflections
a = 10.431 (2) Å	θ = 2.8–27.9º
b = 14.431 (3) Å	µ = 1.03 mm−1
c = 8.589 (2) Å	T = 293 (2) K
β = 90.676 (18)º	Block, yellow
V = 1292.8 (5) Å3	0.20 × 0.16 × 0.12 mm
Z = 4

Rigaku, SCXmini diffractometer	3074 independent reflections
Radiation source: Fine-focus sealed tube	2472 reflections with I > 2σ(I)
Monochromator: Graphite	Rint = 0.054
Detector resolution: 13.6612 pixels mm-1	θmax = 27.9º
T = 293(2) K	θmin = 2.8º
ω scans	h = −13→13
Absorption correction: multi-scan(CrystalClear; Rigaku, 2005)	k = −19→19
Tmin = 0.820, Tmax = 0.886	l = −11→11
13382 measured reflections

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.046	H-atom parameters constrained
wR(F2) = 0.106	w = 1/[σ2(Fo2) + (0.0431P)2 + 0.2319P] where P = (Fo2 + 2Fc2)/3
S = 1.11	(Δ/σ)max = 0.001
3074 reflections	Δρmax = 0.32 e Å−3
190 parameters	Δρmin = −0.41 e Å−3
Primary atom site location: structure-invariant direct methods	Extinction correction: None

Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'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
Mn1	0.44828 (3)	0.90619 (3)	0.09904 (4)	0.03138 (13)
C1	0.4312 (2)	0.72913 (17)	−0.1025 (3)	0.0347 (6)
C2	0.2897 (2)	0.74195 (18)	−0.0956 (3)	0.0361 (6)
H2A	0.2548	0.7575	−0.1974	0.043*
H2B	0.2484	0.6860	−0.0588	0.043*
C3	0.1497 (2)	0.84401 (18)	0.0504 (3)	0.0369 (6)
C4	0.0389 (3)	0.8016 (2)	0.0034 (4)	0.0489 (7)
H4A	0.0410	0.7513	−0.0642	0.059*
C5	−0.0791 (3)	0.8355 (2)	0.0595 (5)	0.0636 (9)
H5A	−0.1549	0.8068	0.0280	0.076*
C6	−0.0843 (3)	0.9086 (2)	0.1577 (5)	0.0611 (9)
H6A	−0.1631	0.9291	0.1939	0.073*
C7	0.0296 (3)	0.9541 (2)	0.2056 (4)	0.0476 (7)
C8	0.0335 (3)	1.0319 (2)	0.3054 (4)	0.0598 (9)
H8A	−0.0425	1.0565	0.3429	0.072*
C9	0.1473 (3)	1.0708 (2)	0.3471 (4)	0.0622 (9)
H9A	0.1498	1.1213	0.4144	0.075*
C10	0.2607 (3)	1.0341 (2)	0.2875 (3)	0.0506 (7)
H10A	0.3380	1.0617	0.3161	0.061*
C11	0.1485 (2)	0.92186 (18)	0.1507 (3)	0.0350 (6)
N1	0.4916 (2)	0.66357 (15)	−0.1804 (3)	0.0402 (5)
N2	0.6184 (2)	0.67775 (19)	−0.1497 (3)	0.0551 (7)
N3	0.6309 (2)	0.74859 (19)	−0.0569 (3)	0.0569 (7)
N4	0.5125 (2)	0.78285 (16)	−0.0251 (3)	0.0431 (6)
N5	0.2634 (2)	0.96208 (15)	0.1926 (2)	0.0372 (5)
N6	0.5787 (2)	1.01876 (16)	0.1316 (3)	0.0417 (5)
N7	0.6346 (2)	1.04671 (15)	0.2407 (3)	0.0415 (5)
N8	0.6923 (3)	1.0756 (2)	0.3458 (3)	0.0701 (9)
O1	0.27145 (16)	0.81654 (12)	0.0115 (2)	0.0398 (4)

	U11	U22	U33	U12	U13	U23
Mn1	0.0286 (2)	0.0303 (2)	0.0353 (2)	−0.00417 (15)	0.00011 (15)	0.00057 (15)
C1	0.0352 (14)	0.0325 (13)	0.0364 (13)	−0.0005 (10)	−0.0019 (11)	−0.0022 (10)
C2	0.0345 (14)	0.0334 (13)	0.0403 (14)	−0.0042 (11)	−0.0015 (11)	−0.0079 (11)
C3	0.0272 (12)	0.0390 (14)	0.0445 (15)	0.0012 (10)	0.0001 (11)	0.0068 (11)
C4	0.0340 (15)	0.0462 (17)	0.067 (2)	−0.0052 (12)	−0.0026 (13)	−0.0041 (14)
C5	0.0276 (15)	0.061 (2)	0.102 (3)	−0.0051 (14)	−0.0040 (16)	0.004 (2)
C6	0.0306 (15)	0.067 (2)	0.086 (3)	0.0049 (14)	0.0069 (16)	0.0028 (18)
C7	0.0363 (15)	0.0509 (17)	0.0558 (18)	0.0087 (13)	0.0078 (13)	0.0063 (14)
C8	0.0510 (19)	0.063 (2)	0.066 (2)	0.0169 (16)	0.0150 (16)	−0.0072 (17)
C9	0.057 (2)	0.063 (2)	0.066 (2)	0.0136 (17)	0.0090 (17)	−0.0211 (17)
C10	0.0492 (18)	0.0498 (18)	0.0529 (18)	−0.0006 (14)	0.0013 (14)	−0.0121 (14)
C11	0.0291 (13)	0.0397 (14)	0.0362 (14)	0.0020 (10)	0.0031 (10)	0.0072 (10)
N1	0.0336 (12)	0.0408 (13)	0.0461 (13)	0.0030 (9)	−0.0019 (10)	−0.0086 (10)
N2	0.0372 (13)	0.0645 (17)	0.0633 (17)	0.0066 (12)	−0.0057 (12)	−0.0228 (13)
N3	0.0349 (13)	0.0648 (17)	0.0708 (18)	0.0001 (12)	−0.0065 (12)	−0.0225 (14)
N4	0.0322 (12)	0.0428 (13)	0.0541 (14)	0.0026 (10)	−0.0034 (10)	−0.0125 (11)
N5	0.0346 (11)	0.0379 (12)	0.0392 (12)	0.0015 (9)	0.0021 (9)	−0.0013 (9)
N6	0.0456 (13)	0.0389 (12)	0.0405 (13)	−0.0140 (10)	−0.0067 (10)	0.0060 (10)
N7	0.0433 (13)	0.0348 (12)	0.0464 (14)	−0.0020 (10)	0.0019 (11)	0.0010 (10)
N8	0.083 (2)	0.073 (2)	0.0529 (17)	−0.0068 (16)	−0.0253 (16)	−0.0143 (14)
O1	0.0290 (9)	0.0403 (10)	0.0501 (11)	−0.0026 (8)	0.0035 (8)	−0.0124 (8)

Mn1—N6	2.135 (2)	C6—C7	1.415 (4)
Mn1—N4	2.184 (2)	C6—H6A	0.9300
Mn1—N1i	2.188 (2)	C7—C11	1.411 (4)
Mn1—N5	2.247 (2)	C7—C8	1.412 (4)
Mn1—N6ii	2.272 (2)	C8—C9	1.358 (5)
Mn1—O1	2.3682 (18)	C8—H8A	0.9300
C1—N4	1.322 (3)	C9—C10	1.399 (4)
C1—N1	1.322 (3)	C9—H9A	0.9300
C1—C2	1.490 (4)	C10—N5	1.322 (3)
C2—O1	1.430 (3)	C10—H10A	0.9300
C2—H2A	0.9700	C11—N5	1.376 (3)
C2—H2B	0.9700	N1—N2	1.361 (3)
C3—C4	1.364 (4)	N1—Mn1iii	2.188 (2)
C3—O1	1.376 (3)	N2—N3	1.302 (3)
C3—C11	1.416 (4)	N3—N4	1.361 (3)
C4—C5	1.414 (4)	N6—N7	1.169 (3)
C4—H4A	0.9300	N6—Mn1ii	2.272 (2)
C5—C6	1.353 (5)	N7—N8	1.157 (3)
C5—H5A	0.9300
N6—Mn1—N4	119.03 (9)	C7—C6—H6A	119.9
N6—Mn1—N1i	96.42 (8)	C11—C7—C8	116.5 (3)
N4—Mn1—N1i	89.22 (9)	C11—C7—C6	119.2 (3)
N6—Mn1—N5	103.19 (9)	C8—C7—C6	124.3 (3)
N4—Mn1—N5	137.42 (8)	C9—C8—C7	120.5 (3)
N1i—Mn1—N5	91.43 (8)	C9—C8—H8A	119.7
N6—Mn1—N6ii	79.85 (9)	C7—C8—H8A	119.7
N4—Mn1—N6ii	89.90 (9)	C8—C9—C10	119.1 (3)
N1i—Mn1—N6ii	175.15 (8)	C8—C9—H9A	120.4
N5—Mn1—N6ii	92.44 (9)	C10—C9—H9A	120.4
N6—Mn1—O1	161.79 (8)	N5—C10—C9	123.2 (3)
N4—Mn1—O1	69.03 (7)	N5—C10—H10A	118.4
N1i—Mn1—O1	100.11 (8)	C9—C10—H10A	118.4
N5—Mn1—O1	68.97 (7)	N5—C11—C7	122.7 (3)
N6ii—Mn1—O1	84.01 (7)	N5—C11—C3	118.7 (2)
N4—C1—N1	111.6 (2)	C7—C11—C3	118.6 (3)
N4—C1—C2	122.5 (2)	C1—N1—N2	105.2 (2)
N1—C1—C2	125.9 (2)	C1—N1—Mn1iii	132.27 (18)
O1—C2—C1	104.99 (19)	N2—N1—Mn1iii	115.27 (17)
O1—C2—H2A	110.7	N3—N2—N1	109.1 (2)
C1—C2—H2A	110.7	N2—N3—N4	108.8 (2)
O1—C2—H2B	110.7	C1—N4—N3	105.3 (2)
C1—C2—H2B	110.7	C1—N4—Mn1	121.64 (17)
H2A—C2—H2B	108.8	N3—N4—Mn1	132.69 (18)
C4—C3—O1	125.4 (3)	C10—N5—C11	117.9 (2)
C4—C3—C11	121.5 (2)	C10—N5—Mn1	121.83 (19)
O1—C3—C11	113.0 (2)	C11—N5—Mn1	120.26 (17)
C3—C4—C5	118.8 (3)	N7—N6—Mn1	132.73 (19)
C3—C4—H4A	120.6	N7—N6—Mn1ii	126.11 (18)
C5—C4—H4A	120.6	Mn1—N6—Mn1ii	100.15 (9)
C6—C5—C4	121.6 (3)	N8—N7—N6	178.1 (3)
C6—C5—H5A	119.2	C3—O1—C2	120.2 (2)
C4—C5—H5A	119.2	C3—O1—Mn1	118.92 (15)
C5—C6—C7	120.2 (3)	C2—O1—Mn1	120.41 (14)
C5—C6—H6A	119.9

D—H···A	D—H	H···A	D···A	D—H···A
C2—H2B···N8iv	0.97	2.50	3.223 (4)	131
C5—H5A···N3v	0.93	2.49	3.413 (4)	173

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C2—H2B⋯N8i	0.97	2.50	3.223 (4)	131
C5—H5A⋯N3ii	0.93	2.49	3.413 (4)	173

Symmetry codes: (i) ; (ii) .