Diazido-bis[2,4-diamino-6-(2-pyrid-yl)-1,3,5-triazine-κN,N]zinc(II).

In the title mononuclear complex, [Zn(N(3))(2)(C(8)H(8)N(6))(2)], the Zn(II) atom, lying on a twofold rotation axis, is six-coordinated in a distorted octa-hedral environment by four N atoms from two 2,4-diamino-6-(2-pyrid-yl)-1,3,5-triazine ligands and two N atoms from two end-on-coordinated azide ions. N-H⋯N hydrogen bonds between the ligand and azide ion link the complex mol-ecules into a three-dimensional network.

Related literature

For general background to organic–inorganic hybrid complexes with azide ligands, see: Carranza et al. (2008 ▶); Gadad et al. (2000 ▶, 2004 ▶); Sun & Du (2005 ▶).

Experimental

Crystal data

[Zn(N3)2(C8H8N6)2]

M = 525.86

Monoclinic,

a = 18.288 (9) Å

b = 14.231 (7) Å

c = 9.144 (4) Å

β = 115.382 (5)°

V = 2150.2 (18) Å3

Z = 4

Mo Kα radiation

μ = 1.19 mm−1

T = 293 K

0.20 × 0.18 × 0.08 mm

Data collection

Bruker APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.588, T max = 0.841 (expected range = 0.636–0.909)

9145 measured reflections

2569 independent reflections

1766 reflections with I > 2σ(I)

R int = 0.056

Refinement

R[F 2 > 2σ(F 2)] = 0.045

wR(F 2) = 0.111

S = 1.00

2569 reflections

159 parameters

H-atom parameters constrained

Δρmax = 0.51 e Å−3

Δρmin = −0.41 e Å−3

Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; 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/S1600536809016055/hy2194sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809016055/hy2194Isup2.hkl

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

[Zn(N3)2(C8H8N6)2]	F(000) = 1072
Mr = 525.86	Dx = 1.624 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 2266 reflections
a = 18.288 (9) Å	θ = 1.9–28.6°
b = 14.231 (7) Å	µ = 1.19 mm−1
c = 9.144 (4) Å	T = 293 K
β = 115.382 (5)°	Block, colourless
V = 2150.2 (18) Å3	0.20 × 0.18 × 0.08 mm
Z = 4

Bruker APEXII CCD diffractometer	2569 independent reflections
Radiation source: fine-focus sealed tube	1766 reflections with I > 2σ(I)
graphite	Rint = 0.056
φ and ω scans	θmax = 28.6°, θmin = 1.9°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −24→24
Tmin = 0.588, Tmax = 0.841	k = −18→19
9145 measured reflections	l = −12→12

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)] = 0.045	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.111	H-atom parameters constrained
S = 1.00	w = 1/[σ2(Fo2) + (0.0537P)2 + 0.3944P] where P = (Fo2 + 2Fc2)/3
2569 reflections	(Δ/σ)max < 0.001
159 parameters	Δρmax = 0.51 e Å−3
0 restraints	Δρmin = −0.41 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.

	x	y	z	Uiso*/Ueq
Zn1	0.5000	0.26762 (3)	0.7500	0.03110 (17)
N1	0.57688 (14)	0.16446 (17)	0.7022 (3)	0.0345 (6)
N2	0.72454 (13)	0.16338 (16)	1.1155 (3)	0.0317 (6)
N3	0.67379 (15)	0.25546 (16)	1.2722 (3)	0.0335 (6)
N4	0.59865 (13)	0.24286 (16)	0.9857 (3)	0.0295 (6)
N5	0.79367 (15)	0.17410 (19)	1.3913 (3)	0.0466 (7)
H5A	0.7994	0.1940	1.4845	0.056*
H5B	0.8297	0.1380	1.3842	0.056*
N6	0.55659 (15)	0.33821 (19)	1.1393 (3)	0.0463 (7)
H6A	0.5622	0.3608	1.2308	0.056*
H6B	0.5157	0.3542	1.0517	0.056*
N7	0.56565 (14)	0.37551 (19)	0.6915 (3)	0.0370 (6)
N8	0.58831 (15)	0.43984 (19)	0.7856 (3)	0.0372 (6)
N9	0.61108 (18)	0.5009 (2)	0.8783 (4)	0.0554 (8)
C1	0.5666 (2)	0.1303 (2)	0.5574 (4)	0.0486 (9)
H1A	0.5178	0.1421	0.4682	0.058*
C2	0.6245 (2)	0.0791 (3)	0.5352 (4)	0.0536 (10)
H2A	0.6149	0.0572	0.4327	0.064*
C3	0.6968 (2)	0.0602 (2)	0.6659 (4)	0.0452 (8)
H3A	0.7370	0.0257	0.6537	0.054*
C4	0.70815 (19)	0.0941 (2)	0.8161 (4)	0.0375 (7)
H4A	0.7560	0.0818	0.9071	0.045*
C5	0.64771 (17)	0.14623 (19)	0.8293 (3)	0.0294 (6)
C6	0.65790 (16)	0.18691 (19)	0.9882 (3)	0.0276 (6)
C7	0.72914 (17)	0.1992 (2)	1.2585 (3)	0.0320 (7)
C8	0.61087 (17)	0.2789 (2)	1.1335 (3)	0.0311 (7)

	U11	U22	U33	U12	U13	U23
Zn1	0.0264 (3)	0.0377 (3)	0.0228 (3)	0.000	0.00450 (19)	0.000
N1	0.0326 (13)	0.0405 (15)	0.0225 (13)	0.0043 (11)	0.0043 (11)	−0.0033 (10)
N2	0.0282 (13)	0.0402 (15)	0.0218 (13)	0.0042 (10)	0.0060 (10)	0.0004 (10)
N3	0.0307 (13)	0.0454 (16)	0.0206 (12)	0.0050 (11)	0.0075 (10)	0.0004 (10)
N4	0.0244 (12)	0.0399 (15)	0.0198 (12)	0.0021 (10)	0.0052 (10)	−0.0012 (10)
N5	0.0393 (15)	0.070 (2)	0.0202 (13)	0.0202 (14)	0.0027 (11)	−0.0020 (13)
N6	0.0393 (15)	0.070 (2)	0.0212 (13)	0.0195 (14)	0.0050 (12)	−0.0045 (12)
N7	0.0326 (14)	0.0448 (16)	0.0321 (14)	−0.0050 (12)	0.0123 (11)	−0.0025 (12)
N8	0.0285 (14)	0.0446 (17)	0.0338 (15)	−0.0006 (12)	0.0089 (11)	0.0082 (13)
N9	0.061 (2)	0.0489 (18)	0.0433 (17)	−0.0132 (15)	0.0104 (15)	−0.0083 (15)
C1	0.0435 (19)	0.063 (2)	0.0272 (17)	0.0092 (17)	0.0041 (15)	−0.0105 (16)
C2	0.059 (2)	0.065 (2)	0.0317 (18)	0.0114 (19)	0.0149 (17)	−0.0161 (16)
C3	0.051 (2)	0.046 (2)	0.042 (2)	0.0076 (16)	0.0222 (17)	−0.0088 (15)
C4	0.0379 (17)	0.0382 (18)	0.0335 (17)	0.0037 (14)	0.0125 (14)	−0.0006 (14)
C5	0.0316 (15)	0.0283 (15)	0.0265 (15)	−0.0020 (12)	0.0108 (12)	−0.0022 (12)
C6	0.0265 (14)	0.0303 (15)	0.0244 (15)	−0.0014 (12)	0.0094 (12)	0.0012 (12)
C7	0.0291 (15)	0.0372 (17)	0.0246 (15)	0.0008 (13)	0.0066 (12)	0.0047 (12)
C8	0.0284 (15)	0.0384 (17)	0.0231 (15)	0.0021 (13)	0.0078 (12)	0.0020 (12)

Zn1—N7	2.153 (3)	N5—H5B	0.8600
Zn1—N7i	2.153 (3)	N6—C8	1.322 (4)
Zn1—N4i	2.166 (2)	N6—H6A	0.8600
Zn1—N4	2.166 (2)	N6—H6B	0.8600
Zn1—N1	2.202 (2)	N7—N8	1.202 (4)
Zn1—N1i	2.202 (2)	N8—N9	1.159 (4)
N1—C5	1.343 (3)	C1—C2	1.371 (5)
N1—C1	1.346 (4)	C1—H1A	0.9300
N2—C6	1.318 (3)	C2—C3	1.377 (5)
N2—C7	1.372 (4)	C2—H2A	0.9300
N3—C7	1.338 (4)	C3—C4	1.385 (4)
N3—C8	1.339 (4)	C3—H3A	0.9300
N4—C6	1.337 (3)	C4—C5	1.379 (4)
N4—C8	1.371 (4)	C4—H4A	0.9300
N5—C7	1.329 (3)	C5—C6	1.500 (4)
N5—H5A	0.8600
N7—Zn1—N7i	89.01 (14)	H6A—N6—H6B	120.0
N7—Zn1—N4i	100.61 (9)	N8—N7—Zn1	115.1 (2)
N7i—Zn1—N4i	92.75 (9)	N9—N8—N7	178.8 (3)
N7—Zn1—N4	92.75 (9)	N1—C1—C2	123.1 (3)
N7i—Zn1—N4	100.61 (9)	N1—C1—H1A	118.4
N4i—Zn1—N4	161.28 (13)	C2—C1—H1A	118.4
N7—Zn1—N1	87.41 (10)	C1—C2—C3	119.4 (3)
N7i—Zn1—N1	174.96 (9)	C1—C2—H2A	120.3
N4i—Zn1—N1	91.39 (9)	C3—C2—H2A	120.3
N4—Zn1—N1	76.04 (9)	C2—C3—C4	118.2 (3)
N7—Zn1—N1i	174.96 (9)	C2—C3—H3A	120.9
N7i—Zn1—N1i	87.41 (10)	C4—C3—H3A	120.9
N4i—Zn1—N1i	76.04 (9)	C5—C4—C3	119.3 (3)
N4—Zn1—N1i	91.39 (9)	C5—C4—H4A	120.4
N1—Zn1—N1i	96.38 (14)	C3—C4—H4A	120.4
C5—N1—C1	117.3 (3)	N1—C5—C4	122.7 (3)
C5—N1—Zn1	114.71 (18)	N1—C5—C6	115.9 (2)
C1—N1—Zn1	127.1 (2)	C4—C5—C6	121.4 (3)
C6—N2—C7	113.8 (2)	N2—C6—N4	127.0 (2)
C7—N3—C8	115.9 (2)	N2—C6—C5	116.2 (2)
C6—N4—C8	114.7 (2)	N4—C6—C5	116.8 (2)
C6—N4—Zn1	115.90 (17)	N5—C7—N3	119.1 (3)
C8—N4—Zn1	129.38 (19)	N5—C7—N2	116.0 (3)
C7—N5—H5A	120.0	N3—C7—N2	124.9 (2)
C7—N5—H5B	120.0	N6—C8—N3	118.4 (3)
H5A—N5—H5B	120.0	N6—C8—N4	118.1 (2)
C8—N6—H6A	120.0	N3—C8—N4	123.5 (3)
C8—N6—H6B	120.0

D—H···A	D—H	H···A	D···A	D—H···A
N5—H5A···N3ii	0.86	2.19	3.042 (4)	175
N5—H5B···N7iii	0.86	2.31	3.060 (4)	147
N6—H6A···N9iv	0.86	2.34	3.025 (4)	137
N6—H6B···N7i	0.86	2.10	2.939 (4)	164

Table 1

Selected bond lengths (Å)

Zn1—N7	2.153 (3)
Zn1—N4	2.166 (2)
Zn1—N1	2.202 (2)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N5—H5A⋯N3i	0.86	2.19	3.042 (4)	175
N5—H5B⋯N7ii	0.86	2.31	3.060 (4)	147
N6—H6A⋯N9iii	0.86	2.34	3.025 (4)	137
N6—H6B⋯N7iv	0.86	2.10	2.939 (4)	164

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