catena-Poly[[diazido-manganese(II)]bis-[μ-1-(4-pyridylmeth-yl)-1H-benzimidazole]].

In the title polymeric compound, [Mn(N(3))(2)(C(13)H(11)N(3))(2)](n), each Mn(II) centre is six-coordinated in an octahedral geometry by six N atoms from four 1-(4-pyridylmeth-yl)-1H-benzimidazole (L) ligands and two azide anions (N(3) (-)). Each of the Mn(II) ions lies on an inversion centre. The L ligands and N(3) (-) anions bridge adjacent Mn(II) centres, generating a polymeric chain running along the [110] direction. Adjacent polymeric chains are arranged in a two-dimensional network parallel to the (001) plane, linked by C-H⋯N hydrogen bonds.

Related literature

For related literature, see: Chang et al. (2005 ▶); Desiraju & Steiner (1999 ▶); Fan et al. (2006 ▶); Huang et al. (2006 ▶); Kitagawa et al. (2004 ▶); Li et al. (2007 ▶); Meng et al. (2004 ▶); Steel (2005 ▶); Su et al. (2001 ▶); Xiao et al. (2004 ▶).

Experimental

Crystal data

[Mn(N3)2(C13H11N3)2]

M = 557.50

Triclinic,

a = 8.4135 (17) Å

b = 8.5823 (17) Å

c = 10.399 (2) Å

α = 67.86 (3)°

β = 86.03 (3)°

γ = 69.80 (3)°

V = 651.1 (3) Å3

Z = 1

Mo Kα radiation

μ = 0.55 mm−1

T = 294 (2) K

0.36 × 0.32 × 0.30 mm

Data collection

Bruker SMART CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 1998 ▶) T min = 0.827, T max = 0.853

6780 measured reflections

2954 independent reflections

2828 reflections with I > 2σ(I)

R int = 0.019

Refinement

R[F 2 > 2σ(F 2)] = 0.029

wR(F 2) = 0.081

S = 1.03

2954 reflections

179 parameters

H-atom parameters constrained

Δρmax = 0.31 e Å−3

Δρmin = −0.23 e Å−3

Data collection: SMART (Bruker, 1998 ▶); cell refinement: SAINT (Bruker, 1998 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997 ▶); molecular graphics: SHELXTL (Bruker, 1998 ▶); software used to prepare material for publication: SHELXTL and PLATON (Spek, 2003 ▶).

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536807062435/ci2519sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536807062435/ci2519Isup2.hkl

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

[Mn(N3)2(C13H11N3)2]	Z = 1
Mr = 557.50	F000 = 287
Triclinic, P1	Dx = 1.422 Mg m−3
Hall symbol: -P 1	Mo Kα radiation λ = 0.71073 Å
a = 8.4135 (17) Å	Cell parameters from 6008 reflections
b = 8.5823 (17) Å	θ = 3.2–27.5º
c = 10.399 (2) Å	µ = 0.55 mm−1
α = 67.86 (3)º	T = 294 (2) K
β = 86.03 (3)º	Block, yellow
γ = 69.80 (3)º	0.36 × 0.32 × 0.30 mm
V = 651.1 (3) Å3

Bruker SMART CCD area-detector diffractometer	2954 independent reflections
Radiation source: fine-focus sealed tube	2828 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.019
T = 294(2) K	θmax = 27.5º
φ and ω scans	θmin = 3.2º
Absorption correction: multi-scan(SADABS; Bruker, 1998)	h = −10→10
Tmin = 0.827, Tmax = 0.853	k = −11→11
6780 measured reflections	l = −13→13

Refinement on F2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.029	w = 1/[σ2(Fo2) + (0.0415P)2 + 0.2403P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.081	(Δ/σ)max = 0.003
S = 1.03	Δρmax = 0.31 e Å−3
2954 reflections	Δρmin = −0.23 e Å−3
179 parameters	Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.188 (10)
Secondary atom site location: difference Fourier map

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
Mn1	1.0000	0.0000	1.0000	0.02268 (12)
C1	0.13527 (18)	0.75738 (18)	0.81818 (14)	0.0299 (3)
H1	0.1225	0.6635	0.8954	0.036*
C2	0.13205 (16)	1.01940 (17)	0.68138 (13)	0.0259 (3)
C3	0.19824 (16)	0.90468 (18)	0.60918 (14)	0.0281 (3)
C4	0.2474 (2)	0.9643 (2)	0.47385 (16)	0.0421 (4)
H4	0.2914	0.8870	0.4269	0.050*
C5	0.2277 (3)	1.1436 (3)	0.41276 (17)	0.0511 (4)
H5	0.2594	1.1883	0.3224	0.061*
C6	0.1610 (2)	1.2603 (2)	0.48348 (17)	0.0463 (4)
H6	0.1498	1.3804	0.4390	0.056*
C7	0.1116 (2)	1.20089 (19)	0.61774 (16)	0.0351 (3)
H7	0.0665	1.2789	0.6639	0.042*
C8	0.25306 (18)	0.57026 (19)	0.67617 (16)	0.0332 (3)
H8A	0.2516	0.5976	0.5768	0.040*
H8B	0.1726	0.5091	0.7140	0.040*
C9	0.47260 (18)	0.26337 (19)	0.77339 (17)	0.0351 (3)
H9	0.3960	0.2185	0.7525	0.042*
C10	0.63090 (19)	0.14894 (19)	0.83664 (17)	0.0365 (3)
H10	0.6578	0.0269	0.8580	0.044*
C11	0.70528 (19)	0.3804 (2)	0.83490 (19)	0.0392 (4)
H11	0.7856	0.4224	0.8536	0.047*
C12	0.5485 (2)	0.5042 (2)	0.77332 (19)	0.0401 (4)
H12	0.5243	0.6254	0.7538	0.048*
C13	0.42862 (16)	0.44572 (18)	0.74119 (14)	0.0265 (3)
N1	0.09396 (15)	0.92194 (15)	0.81364 (12)	0.0285 (2)
N2	0.19812 (14)	0.73794 (15)	0.69955 (12)	0.0278 (2)
N3	0.74795 (14)	0.20399 (15)	0.86900 (12)	0.0297 (3)
N4	1.10239 (16)	0.22079 (17)	0.92696 (13)	0.0341 (3)
N5	1.16197 (15)	0.28050 (15)	0.98900 (12)	0.0298 (3)
N6	1.2213 (2)	0.3409 (2)	1.04762 (16)	0.0492 (4)

	U11	U22	U33	U12	U13	U23
Mn1	0.02229 (16)	0.02034 (16)	0.02660 (17)	−0.00730 (11)	0.00254 (10)	−0.01032 (11)
C1	0.0331 (7)	0.0231 (6)	0.0295 (6)	−0.0071 (5)	0.0051 (5)	−0.0086 (5)
C2	0.0241 (6)	0.0249 (6)	0.0252 (6)	−0.0061 (5)	−0.0014 (5)	−0.0072 (5)
C3	0.0234 (6)	0.0291 (6)	0.0277 (6)	−0.0055 (5)	−0.0001 (5)	−0.0092 (5)
C4	0.0469 (9)	0.0503 (9)	0.0304 (7)	−0.0167 (7)	0.0093 (6)	−0.0178 (7)
C5	0.0629 (11)	0.0599 (11)	0.0269 (7)	−0.0293 (9)	0.0070 (7)	−0.0057 (7)
C6	0.0581 (10)	0.0373 (8)	0.0355 (8)	−0.0227 (8)	−0.0042 (7)	0.0016 (7)
C7	0.0401 (8)	0.0274 (7)	0.0345 (7)	−0.0111 (6)	−0.0048 (6)	−0.0072 (6)
C8	0.0279 (7)	0.0288 (7)	0.0421 (8)	−0.0001 (5)	−0.0058 (6)	−0.0201 (6)
C9	0.0287 (7)	0.0283 (7)	0.0514 (9)	−0.0073 (6)	−0.0056 (6)	−0.0194 (6)
C10	0.0334 (7)	0.0244 (7)	0.0511 (9)	−0.0042 (6)	−0.0073 (6)	−0.0170 (6)
C11	0.0303 (7)	0.0292 (7)	0.0585 (10)	−0.0097 (6)	−0.0075 (6)	−0.0157 (7)
C12	0.0338 (7)	0.0234 (7)	0.0604 (10)	−0.0065 (6)	−0.0077 (7)	−0.0141 (7)
C13	0.0236 (6)	0.0257 (6)	0.0293 (6)	−0.0038 (5)	0.0018 (5)	−0.0137 (5)
N1	0.0325 (6)	0.0226 (5)	0.0280 (6)	−0.0073 (4)	0.0047 (4)	−0.0094 (4)
N2	0.0262 (5)	0.0230 (5)	0.0309 (6)	−0.0025 (4)	0.0012 (4)	−0.0118 (4)
N3	0.0261 (5)	0.0259 (6)	0.0364 (6)	−0.0055 (4)	−0.0008 (4)	−0.0137 (5)
N4	0.0392 (7)	0.0336 (6)	0.0365 (6)	−0.0207 (5)	0.0047 (5)	−0.0135 (5)
N5	0.0356 (6)	0.0219 (5)	0.0304 (6)	−0.0125 (5)	0.0040 (5)	−0.0062 (5)
N6	0.0717 (10)	0.0397 (7)	0.0456 (8)	−0.0301 (7)	−0.0050 (7)	−0.0148 (6)

Mn1—N4	2.2049 (13)	C6—H6	0.93
Mn1—N4i	2.2049 (13)	C7—H7	0.93
Mn1—N1ii	2.2869 (12)	C8—N2	1.4603 (17)
Mn1—N1iii	2.2869 (12)	C8—C13	1.5115 (19)
Mn1—N3i	2.3358 (16)	C8—H8A	0.97
Mn1—N3	2.3358 (16)	C8—H8B	0.97
C1—N1	1.3156 (18)	C9—C10	1.379 (2)
C1—N2	1.3540 (18)	C9—C13	1.3858 (19)
C1—H1	0.93	C9—H9	0.93
C2—C7	1.395 (2)	C10—N3	1.3392 (19)
C2—N1	1.3968 (18)	C10—H10	0.93
C2—C3	1.4014 (19)	C11—N3	1.3354 (19)
C3—N2	1.3849 (19)	C11—C12	1.384 (2)
C3—C4	1.391 (2)	C11—H11	0.93
C4—C5	1.379 (3)	C12—C13	1.380 (2)
C4—H4	0.93	C12—H12	0.93
C5—C6	1.403 (3)	N1—Mn1iv	2.2869 (12)
C5—H5	0.93	N4—N5	1.1838 (17)
C6—C7	1.383 (2)	N5—N6	1.1612 (18)
N4—Mn1—N4i	180	C6—C7—H7	121.3
N4—Mn1—N1ii	88.32 (5)	C2—C7—H7	121.3
N4i—Mn1—N1ii	91.68 (5)	N2—C8—C13	113.50 (11)
N4—Mn1—N1iii	91.68 (5)	N2—C8—H8A	108.9
N4i—Mn1—N1iii	88.32 (5)	C13—C8—H8A	108.9
N1ii—Mn1—N1iii	180	N2—C8—H8B	108.9
N4—Mn1—N3i	92.39 (5)	C13—C8—H8B	108.9
N4i—Mn1—N3i	87.61 (5)	H8A—C8—H8B	107.7
N1ii—Mn1—N3i	89.63 (5)	C10—C9—C13	119.48 (13)
N1iii—Mn1—N3i	90.37 (5)	C10—C9—H9	120.3
N4—Mn1—N3	87.61 (5)	C13—C9—H9	120.3
N4i—Mn1—N3	92.39 (5)	N3—C10—C9	123.55 (13)
N1ii—Mn1—N3	90.37 (5)	N3—C10—H10	118.2
N1iii—Mn1—N3	89.63 (5)	C9—C10—H10	118.2
N3i—Mn1—N3	180	N3—C11—C12	123.86 (14)
N1—C1—N2	113.45 (12)	N3—C11—H11	118.1
N1—C1—H1	123.3	C12—C11—H11	118.1
N2—C1—H1	123.3	C13—C12—C11	119.19 (14)
C7—C2—N1	130.51 (13)	C13—C12—H12	120.4
C7—C2—C3	120.29 (13)	C11—C12—H12	120.4
N1—C2—C3	109.19 (12)	C12—C13—C9	117.52 (13)
N2—C3—C4	132.11 (14)	C12—C13—C8	123.05 (12)
N2—C3—C2	105.56 (11)	C9—C13—C8	119.42 (13)
C4—C3—C2	122.33 (14)	C1—N1—C2	105.01 (11)
C5—C4—C3	116.72 (15)	C1—N1—Mn1iv	123.01 (10)
C5—C4—H4	121.6	C2—N1—Mn1iv	131.84 (9)
C3—C4—H4	121.6	C1—N2—C3	106.79 (11)
C4—C5—C6	121.63 (15)	C1—N2—C8	124.89 (12)
C4—C5—H5	119.2	C3—N2—C8	128.32 (12)
C6—C5—H5	119.2	C11—N3—C10	116.38 (12)
C7—C6—C5	121.56 (16)	C11—N3—Mn1	121.80 (10)
C7—C6—H6	119.2	C10—N3—Mn1	121.47 (9)
C5—C6—H6	119.2	N5—N4—Mn1	131.21 (10)
C6—C7—C2	117.48 (15)	N6—N5—N4	178.77 (15)
C7—C2—C3—N2	−178.72 (12)	N1—C1—N2—C3	0.08 (16)
N1—C2—C3—N2	0.39 (15)	N1—C1—N2—C8	−179.71 (12)
C7—C2—C3—C4	0.6 (2)	C4—C3—N2—C1	−179.55 (16)
N1—C2—C3—C4	179.75 (13)	C2—C3—N2—C1	−0.29 (14)
N2—C3—C4—C5	179.05 (15)	C4—C3—N2—C8	0.2 (2)
C2—C3—C4—C5	−0.1 (2)	C2—C3—N2—C8	179.50 (12)
C3—C4—C5—C6	−0.1 (3)	C13—C8—N2—C1	−79.95 (18)
C4—C5—C6—C7	−0.1 (3)	C13—C8—N2—C3	100.30 (16)
C5—C6—C7—C2	0.6 (3)	C12—C11—N3—C10	2.0 (2)
N1—C2—C7—C6	−179.76 (15)	C12—C11—N3—Mn1	−171.37 (14)
C3—C2—C7—C6	−0.9 (2)	C9—C10—N3—C11	−0.9 (2)
C13—C9—C10—N3	−0.4 (3)	C9—C10—N3—Mn1	172.44 (12)
N3—C11—C12—C13	−1.7 (3)	N4—Mn1—N3—C11	−23.66 (13)
C11—C12—C13—C9	0.2 (2)	N4i—Mn1—N3—C11	156.34 (13)
C11—C12—C13—C8	178.92 (15)	N1ii—Mn1—N3—C11	64.64 (13)
C10—C9—C13—C12	0.7 (2)	N1iii—Mn1—N3—C11	−115.36 (13)
C10—C9—C13—C8	−178.01 (14)	N4—Mn1—N3—C10	163.34 (12)
N2—C8—C13—C12	−22.6 (2)	N4i—Mn1—N3—C10	−16.66 (12)
N2—C8—C13—C9	156.11 (14)	N1ii—Mn1—N3—C10	−108.36 (12)
N2—C1—N1—C2	0.17 (16)	N1iii—Mn1—N3—C10	71.64 (12)
N2—C1—N1—Mn1iv	−175.95 (9)	N1ii—Mn1—N4—N5	33.89 (14)
C7—C2—N1—C1	178.65 (14)	N1iii—Mn1—N4—N5	−146.11 (14)
C3—C2—N1—C1	−0.35 (15)	N3i—Mn1—N4—N5	−55.67 (14)
C7—C2—N1—Mn1iv	−5.7 (2)	N3—Mn1—N4—N5	124.33 (14)
C3—C2—N1—Mn1iv	175.28 (9)

D—H···A	D—H	H···A	D···A	D—H···A
C1—H1···N6v	0.93	2.48	3.319 (1)	150
C11—H11···N6vi	0.93	2.58	3.305 (2)	135

Mn1—N4	2.2049 (13)
Mn1—N1i	2.2869 (12)
Mn1—N1ii	2.2869 (12)
Mn1—N3	2.3358 (16)

N4—Mn1—N4iii	180
N4—Mn1—N1i	88.32 (5)
N4—Mn1—N1ii	91.68 (5)
N1i—Mn1—N1ii	180
N4—Mn1—N3iii	92.39 (5)
N1ii—Mn1—N3iii	90.37 (5)
N1i—Mn1—N3	90.37 (5)
N3iii—Mn1—N3	180

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

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C1—H1⋯N6iv	0.93	2.48	3.319 (1)	150
C11—H11⋯N6v	0.93	2.58	3.305 (2)	135

Symmetry codes: (iv) ; (v) .