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In the title compound, [Zn(N3)2(C10H8N2)2]·H2O, the zinc(II) ion is coordinated by two N atoms from two azide groups and four N atoms from two 2,2'-bi­pyridine ligands. The coordination geometry of the zinc(II) ion is slightly distorted octahedral. In the solid state, the title compound forms a network structure via hydrogen bonds.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804028466/rz6014sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804028466/rz6014Isup2.hkl
Contains datablock I

CCDC reference: 258658

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.039
  • wR factor = 0.084
  • Data-to-parameter ratio = 10.3

checkCIF/PLATON results

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Alert level C PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct... 16 PLAT220_ALERT_2_C Large Non-Solvent N Ueq(max)/Ueq(min) ... 3.10 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for N8 - N9 .. 5.77 su PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for N6 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for N9 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 2
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SHELXTL (Sheldrick, 1990); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Diazidobis(2,2'-bipyridine)zinc(II) monohydrate top
Crystal data top
[Zn(N3)2(C10H8N2)2]·H2OZ = 2
Mr = 479.81F(000) = 492
Triclinic, P1Dx = 1.505 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 8.3030 (17) ÅCell parameters from 25 reflections
b = 10.334 (2) Åθ = 2–11°
c = 13.251 (3) ŵ = 1.20 mm1
α = 83.74 (3)°T = 293 K
β = 86.98 (3)°Block, yellow
γ = 69.58 (3)°0.20 × 0.20 × 0.10 mm
V = 1059.0 (4) Å3
Data collection top
Bruker SMART CCD area-detector
diffractometer
3710 independent reflections
Radiation source: fine-focus sealed tube2736 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.028
φ and ω scansθmax = 25.3°, θmin = 1.6°
Absorption correction: empirical (using intensity measurements)
(SADABS; Sheldrick, 1996)
h = 09
Tmin = 0.793, Tmax = 0.887k = 1112
3995 measured reflectionsl = 1515
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.039Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.085All H-atom parameters refined
S = 1.02 w = 1/[σ2(Fo2) + (0.033P)2 + 0.0239P]
where P = (Fo2 + 2Fc2)/3
3710 reflections(Δ/σ)max < 0.001
361 parametersΔρmax = 0.27 e Å3
0 restraintsΔρmin = 0.29 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Zn10.20749 (5)0.22026 (4)0.28862 (3)0.03447 (13)
N10.0238 (3)0.2734 (3)0.37871 (19)0.0345 (6)
N20.1334 (3)0.0353 (3)0.30004 (19)0.0362 (6)
N30.4017 (3)0.1545 (3)0.17178 (19)0.0378 (7)
N40.0669 (3)0.2859 (3)0.14218 (19)0.0374 (7)
N50.2337 (4)0.4186 (3)0.2859 (2)0.0507 (8)
N60.3614 (4)0.4380 (3)0.2606 (2)0.0487 (8)
N70.4833 (5)0.4621 (4)0.2339 (4)0.1067 (17)
N80.3792 (4)0.1299 (3)0.4094 (2)0.0506 (8)
N90.3594 (4)0.1816 (3)0.4865 (2)0.0420 (7)
N100.3425 (5)0.2288 (4)0.5635 (2)0.0669 (10)
C10.0907 (5)0.3934 (4)0.4210 (3)0.0420 (9)
C20.2346 (5)0.4228 (4)0.4837 (3)0.0499 (10)
C30.3127 (5)0.3255 (4)0.5027 (3)0.0510 (10)
C40.2459 (4)0.2012 (4)0.4595 (3)0.0457 (9)
C50.0997 (4)0.1771 (3)0.3982 (2)0.0338 (7)
C60.0154 (4)0.0454 (3)0.3506 (2)0.0339 (8)
C70.0811 (5)0.0618 (4)0.3585 (3)0.0474 (9)
C80.0083 (6)0.1812 (4)0.3131 (3)0.0567 (11)
C90.1605 (6)0.1932 (4)0.2634 (3)0.0556 (11)
C100.2191 (5)0.0832 (4)0.2582 (3)0.0469 (9)
C110.5684 (5)0.0910 (4)0.1919 (3)0.0526 (10)
C120.6973 (5)0.0708 (5)0.1190 (3)0.0569 (11)
C130.6497 (6)0.1191 (5)0.0205 (3)0.0591 (11)
C140.4792 (5)0.1843 (4)0.0028 (3)0.0522 (10)
C150.3555 (4)0.2008 (3)0.0747 (2)0.0376 (8)
C160.1669 (4)0.2678 (3)0.0575 (2)0.0353 (8)
C170.0979 (5)0.3091 (4)0.0383 (3)0.0480 (9)
C180.0780 (6)0.3711 (4)0.0475 (3)0.0543 (11)
C190.1802 (6)0.3900 (4)0.0382 (3)0.0540 (10)
C200.1036 (5)0.3461 (4)0.1313 (3)0.0471 (9)
O1W0.6361 (5)0.6802 (4)0.2402 (2)0.0715 (10)
H3A0.414 (4)0.341 (3)0.550 (2)0.051 (10)*
H10A0.319 (4)0.087 (3)0.230 (2)0.038 (10)*
H2A0.273 (4)0.510 (3)0.514 (2)0.045 (10)*
H13A0.737 (5)0.112 (3)0.034 (3)0.058 (11)*
H1A0.031 (4)0.456 (4)0.406 (2)0.051 (10)*
H17A0.164 (4)0.293 (3)0.096 (2)0.042 (10)*
H18A0.134 (4)0.404 (3)0.114 (3)0.051 (10)*
H9A0.238 (5)0.277 (4)0.231 (3)0.065 (12)*
H4A0.292 (4)0.133 (3)0.471 (2)0.040 (10)*
H14A0.444 (4)0.218 (3)0.068 (3)0.047 (10)*
H12A0.824 (5)0.013 (4)0.140 (3)0.069 (12)*
H11A0.594 (5)0.059 (4)0.257 (3)0.055 (11)*
H7A0.185 (5)0.051 (4)0.395 (3)0.063 (12)*
H20A0.164 (5)0.357 (4)0.190 (3)0.060 (12)*
H8A0.040 (5)0.250 (4)0.320 (3)0.058 (11)*
H2W10.605 (6)0.613 (5)0.248 (4)0.09 (2)*
H1W10.638 (6)0.708 (4)0.296 (3)0.080 (16)*
H19A0.297 (6)0.430 (4)0.039 (3)0.092 (16)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn10.0354 (2)0.0384 (2)0.0312 (2)0.01539 (17)0.00288 (15)0.00337 (16)
N10.0344 (16)0.0355 (16)0.0347 (15)0.0140 (13)0.0016 (12)0.0032 (12)
N20.0382 (17)0.0380 (16)0.0340 (15)0.0152 (14)0.0013 (13)0.0050 (13)
N30.0341 (17)0.0450 (17)0.0336 (16)0.0130 (14)0.0007 (13)0.0030 (13)
N40.0372 (17)0.0401 (17)0.0357 (16)0.0151 (14)0.0029 (13)0.0004 (13)
N50.052 (2)0.0454 (19)0.059 (2)0.0233 (16)0.0092 (16)0.0093 (16)
N60.049 (2)0.0404 (18)0.060 (2)0.0189 (16)0.0036 (16)0.0074 (15)
N70.073 (3)0.086 (3)0.183 (5)0.054 (3)0.040 (3)0.034 (3)
N80.052 (2)0.058 (2)0.0367 (17)0.0104 (16)0.0084 (15)0.0092 (15)
N90.0413 (18)0.0445 (18)0.0458 (19)0.0235 (15)0.0028 (15)0.0027 (15)
N100.092 (3)0.080 (3)0.048 (2)0.051 (2)0.0103 (19)0.0235 (19)
C10.043 (2)0.038 (2)0.045 (2)0.0135 (18)0.0039 (17)0.0085 (17)
C20.045 (2)0.048 (2)0.050 (2)0.006 (2)0.0035 (18)0.0108 (19)
C30.035 (2)0.062 (3)0.051 (2)0.011 (2)0.0079 (18)0.006 (2)
C40.033 (2)0.053 (2)0.053 (2)0.0185 (19)0.0011 (17)0.0016 (19)
C50.0280 (17)0.0394 (19)0.0318 (17)0.0098 (15)0.0043 (14)0.0016 (15)
C60.0376 (19)0.0379 (19)0.0271 (17)0.0149 (16)0.0088 (15)0.0027 (14)
C70.048 (2)0.047 (2)0.053 (2)0.026 (2)0.0074 (19)0.0063 (19)
C80.071 (3)0.043 (2)0.066 (3)0.031 (2)0.017 (2)0.002 (2)
C90.071 (3)0.042 (2)0.052 (2)0.016 (2)0.003 (2)0.009 (2)
C100.055 (3)0.042 (2)0.043 (2)0.015 (2)0.0037 (19)0.0069 (18)
C110.042 (2)0.071 (3)0.040 (2)0.014 (2)0.0001 (19)0.003 (2)
C120.038 (2)0.076 (3)0.051 (3)0.013 (2)0.007 (2)0.011 (2)
C130.054 (3)0.080 (3)0.049 (2)0.029 (2)0.018 (2)0.015 (2)
C140.061 (3)0.062 (3)0.035 (2)0.024 (2)0.008 (2)0.0064 (19)
C150.047 (2)0.039 (2)0.0306 (18)0.0188 (17)0.0015 (16)0.0058 (15)
C160.046 (2)0.0301 (18)0.0328 (18)0.0169 (16)0.0035 (16)0.0035 (14)
C170.060 (3)0.047 (2)0.039 (2)0.019 (2)0.007 (2)0.0042 (18)
C180.072 (3)0.051 (2)0.043 (2)0.023 (2)0.025 (2)0.0020 (19)
C190.048 (3)0.046 (2)0.067 (3)0.014 (2)0.018 (2)0.002 (2)
C200.042 (2)0.048 (2)0.050 (2)0.0155 (19)0.0032 (19)0.0015 (19)
O1W0.100 (3)0.089 (3)0.0412 (18)0.053 (2)0.0079 (17)0.0078 (17)
Geometric parameters (Å, º) top
Zn1—N82.110 (3)C6—C71.387 (5)
Zn1—N52.131 (3)C7—C81.383 (6)
Zn1—N12.140 (3)C7—H7A0.95 (4)
Zn1—N32.159 (3)C8—C91.366 (6)
Zn1—N22.192 (3)C8—H8A0.93 (3)
Zn1—N42.233 (3)C9—C101.379 (5)
N1—C11.341 (4)C9—H9A1.01 (4)
N1—C51.349 (4)C10—H10A0.88 (3)
N2—C101.345 (4)C11—C121.378 (5)
N2—C61.351 (4)C11—H11A0.90 (3)
N3—C111.336 (4)C12—C131.372 (5)
N3—C151.350 (4)C12—H12A1.05 (4)
N4—C201.341 (4)C13—C141.374 (6)
N4—C161.350 (4)C13—H13A0.99 (3)
N5—N61.172 (4)C14—C151.393 (5)
N6—N71.154 (4)C14—H14A0.91 (3)
N8—N91.183 (4)C15—C161.494 (5)
N9—N101.158 (4)C16—C171.382 (5)
C1—C21.381 (5)C17—C181.381 (5)
C1—H1A0.95 (3)C17—H17A0.92 (3)
C2—C31.371 (5)C18—C191.371 (6)
C2—H2A0.97 (3)C18—H18A0.99 (3)
C3—C41.384 (5)C19—C201.375 (5)
C3—H3A1.00 (3)C19—H19A0.91 (4)
C4—C51.387 (5)C20—H20A0.90 (3)
C4—H4A0.91 (3)O1W—H2W10.82 (5)
C5—C61.489 (4)O1W—H1W10.83 (4)
N8—Zn1—N594.27 (13)N2—C6—C7121.5 (3)
N8—Zn1—N196.86 (11)N2—C6—C5115.3 (3)
N5—Zn1—N194.83 (11)C7—C6—C5123.2 (3)
N8—Zn1—N394.38 (11)C8—C7—C6118.9 (4)
N5—Zn1—N393.09 (11)C8—C7—H7A122 (2)
N1—Zn1—N3165.71 (10)C6—C7—H7A119 (2)
N8—Zn1—N289.89 (11)C9—C8—C7119.9 (4)
N5—Zn1—N2169.81 (11)C9—C8—H8A124 (2)
N1—Zn1—N275.42 (10)C7—C8—H8A116 (2)
N3—Zn1—N295.86 (10)C8—C9—C10118.5 (4)
N8—Zn1—N4168.29 (11)C8—C9—H9A126 (2)
N5—Zn1—N490.41 (11)C10—C9—H9A115 (2)
N1—Zn1—N493.43 (10)N2—C10—C9123.0 (4)
N3—Zn1—N474.62 (10)N2—C10—H10A115 (2)
N2—Zn1—N487.30 (10)C9—C10—H10A122 (2)
C1—N1—C5118.8 (3)N3—C11—C12123.7 (4)
C1—N1—Zn1123.5 (2)N3—C11—H11A116 (2)
C5—N1—Zn1117.6 (2)C12—C11—H11A120 (2)
C10—N2—C6118.2 (3)C13—C12—C11117.5 (4)
C10—N2—Zn1125.8 (2)C13—C12—H12A124 (2)
C6—N2—Zn1115.9 (2)C11—C12—H12A119 (2)
C11—N3—C15118.5 (3)C12—C13—C14120.2 (4)
C11—N3—Zn1123.0 (2)C12—C13—H13A121 (2)
C15—N3—Zn1117.5 (2)C14—C13—H13A119 (2)
C20—N4—C16118.1 (3)C13—C14—C15119.3 (4)
C20—N4—Zn1126.4 (2)C13—C14—H14A122 (2)
C16—N4—Zn1115.4 (2)C15—C14—H14A119 (2)
N6—N5—Zn1122.6 (3)N3—C15—C14120.7 (3)
N7—N6—N5177.3 (4)N3—C15—C16115.6 (3)
N9—N8—Zn1120.7 (3)C14—C15—C16123.6 (3)
N10—N9—N8178.1 (4)N4—C16—C17121.7 (3)
N1—C1—C2122.8 (4)N4—C16—C15115.5 (3)
N1—C1—H1A115 (2)C17—C16—C15122.7 (3)
C2—C1—H1A122 (2)C18—C17—C16119.0 (4)
C3—C2—C1118.4 (4)C18—C17—H17A118 (2)
C3—C2—H2A123.0 (19)C16—C17—H17A123 (2)
C1—C2—H2A118.5 (19)C19—C18—C17119.5 (4)
C2—C3—C4119.7 (4)C19—C18—H18A118.0 (19)
C2—C3—H3A120.8 (19)C17—C18—H18A122.5 (19)
C4—C3—H3A119.5 (19)C18—C19—C20118.7 (4)
C3—C4—C5119.1 (4)C18—C19—H19A125 (3)
C3—C4—H4A123 (2)C20—C19—H19A116 (3)
C5—C4—H4A118 (2)N4—C20—C19123.0 (4)
N1—C5—C4121.3 (3)N4—C20—H20A114 (2)
N1—C5—C6115.6 (3)C19—C20—H20A123 (2)
C4—C5—C6123.2 (3)H2W1—O1W—H1W1109 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1W1···N10i0.83 (4)2.07 (4)2.895 (4)177 (4)
O1W—H2W1···N70.82 (5)2.16 (5)2.957 (6)165 (5)
C1—H1A···N50.94 (4)2.59 (3)3.226 (5)126 (3)
C7—H7A···N10ii0.94 (4)2.60 (4)3.278 (6)129 (3)
C11—H11A···N80.90 (4)2.61 (4)3.205 (5)124 (3)
C14—H14A···O1Wiii0.92 (4)2.43 (4)3.346 (5)176 (3)
C17—H17A···O1Wiii0.91 (3)2.52 (3)3.396 (5)160 (2)
Symmetry codes: (i) x+1, y+1, z+1; (ii) x, y, z+1; (iii) x+1, y+1, z.
 

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