Buy article online - an online subscription or single-article purchase is required to access this article.
In the crystal structure of the title compound, [Ag2(N3)2(C2H8N2)], the Ag atoms of adjacent polymeric AgN3 chains are bridged by the 1,2-diaminoethane ligand to furnish a ribbon structure. The Ag atom shows trigonal planar coordination. The 1,2-diaminoethane ligand lies on an inversion center.
Supporting information
CCDC reference: 219211
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.011 Å
- R factor = 0.049
- wR factor = 0.152
- Data-to-parameter ratio = 16.1
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 2.00 Ratio
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 11
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.12 Ratio
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
5 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
0 ALERT type 2 Indicator that the structure model may be wrong or deficient
1 ALERT type 3 Indicator that the structure quality may be low
1 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: XSCANS (Siemens, 1990); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.
di-µ-azido-µ-1,2-diaminoethane-disilver(I)
top
Crystal data top
[Ag2(N3)2(C2H8N2)] | Z = 1 |
Mr = 359.90 | F(000) = 170 |
Triclinic, P1 | Dx = 2.892 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 5.782 (5) Å | Cell parameters from 25 reflections |
b = 6.171 (8) Å | θ = 7.5–15.0° |
c = 6.588 (7) Å | µ = 4.70 mm−1 |
α = 67.99 (1)° | T = 298 K |
β = 71.93 (1)° | Block, colorless |
γ = 86.89 (1)° | 0.31 × 0.24 × 0.16 mm |
V = 206.7 (4) Å3 | |
Data collection top
Siemens R3 four-circle diffractometer | 858 reflections with I > 2σ(I) |
Radiation source: medium-focus sealed tube | Rint = 0.065 |
Graphite monochromator | θmax = 27.0°, θmin = 3.5° |
ω scans | h = 0→7 |
Absorption correction: psi scan (North et al., 1968) | k = −7→7 |
Tmin = 0.233, Tmax = 0.472 | l = −8→8 |
992 measured reflections | 2 standard reflections every 120 reflections |
903 independent reflections | intensity decay: none |
Refinement top
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)] = 0.050 | H-atom parameters constrained |
wR(F2) = 0.152 | w = 1/[σ2(Fo2) + (0.1081P)2 + 0.6251P] where P = (Fo2 + 2Fc2)/3 |
S = 1.12 | (Δ/σ)max = 0.001 |
903 reflections | Δρmax = 0.90 e Å−3 |
56 parameters | Δρmin = −1.64 e Å−3 |
0 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.74 (7) |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Ag1 | 0.05880 (10) | 0.07865 (9) | 0.72922 (10) | 0.0467 (5) | |
N1 | −0.2101 (13) | −0.1803 (13) | 0.7437 (14) | 0.0466 (15) | |
N2 | −0.4274 (11) | −0.1828 (11) | 0.8243 (10) | 0.0369 (13) | |
N3 | −0.6425 (12) | −0.1931 (13) | 0.8999 (13) | 0.0494 (16) | |
N4 | 0.1743 (10) | 0.4311 (11) | 0.7049 (11) | 0.0379 (13) | |
H41 | 0.0452 | 0.5193 | 0.7044 | 0.045* | |
H42 | 0.2105 | 0.4109 | 0.8339 | 0.045* | |
C1 | 0.3852 (12) | 0.5675 (12) | 0.5034 (13) | 0.0365 (14) | |
H11 | 0.4147 | 0.7160 | 0.5131 | 0.044* | |
H12 | 0.3464 | 0.6002 | 0.3621 | 0.044* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ag1 | 0.0420 (6) | 0.0422 (6) | 0.0539 (6) | −0.0058 (3) | −0.0142 (3) | −0.0154 (3) |
N1 | 0.037 (3) | 0.041 (3) | 0.064 (4) | 0.001 (3) | −0.020 (3) | −0.020 (3) |
N2 | 0.038 (3) | 0.035 (3) | 0.036 (3) | 0.001 (2) | −0.017 (2) | −0.007 (2) |
N3 | 0.034 (3) | 0.054 (4) | 0.055 (4) | 0.003 (3) | −0.012 (3) | −0.018 (3) |
N4 | 0.031 (3) | 0.039 (3) | 0.043 (3) | 0.003 (2) | −0.012 (2) | −0.013 (2) |
C1 | 0.034 (3) | 0.031 (3) | 0.042 (3) | 0.001 (3) | −0.017 (3) | −0.007 (3) |
Geometric parameters (Å, º) top
Ag1—N1 | 2.246 (7) | N4—C1 | 1.492 (9) |
Ag1—N3i | 2.556 (7) | N4—H41 | 0.90 |
Ag1—N4 | 2.243 (7) | N4—H42 | 0.90 |
Ag1—Ag1ii | 3.179 (4) | C1—C1iv | 1.526 (13) |
N1—N2 | 1.201 (10) | C1—H11 | 0.97 |
N2—N3 | 1.183 (9) | C1—H12 | 0.97 |
N3—Ag1iii | 2.556 (7) | | |
| | | |
N1—Ag1—N3i | 101.4 (3) | Ag1—N4—H41 | 107.8 |
N1—Ag1—N4 | 153.3 (2) | C1—N4—H42 | 107.8 |
N3i—Ag1—N4 | 103.8 (2) | Ag1—N4—H42 | 107.8 |
N4—Ag1—Ag1ii | 86.09 (16) | H41—N4—H42 | 107.2 |
N1—Ag1—Ag1ii | 96.6 (2) | N4—C1—C1iv | 111.1 (7) |
N3i—Ag1—Ag1ii | 64.80 (17) | N4—C1—H11 | 109.4 |
N2—N1—Ag1 | 124.5 (6) | C1iv—C1—H11 | 109.4 |
N3—N2—N1 | 176.9 (8) | N4—C1—H12 | 109.4 |
N2—N3—Ag1iii | 128.5 (6) | C1iv—C1—H12 | 109.4 |
C1—N4—Ag1 | 117.9 (4) | H11—C1—H12 | 108.0 |
C1—N4—H41 | 107.8 | | |
| | | |
N4—Ag1—N1—N2 | −30.3 (11) | N3i—Ag1—N4—C1 | 81.3 (5) |
N3i—Ag1—N1—N2 | 129.7 (7) | Ag1ii—Ag1—N4—C1 | 144.1 (5) |
Ag1ii—Ag1—N1—N2 | 64.1 (7) | Ag1—N4—C1—C1iv | −59.6 (9) |
N1—Ag1—N4—C1 | −118.9 (7) | | |
Symmetry codes: (i) x+1, y, z; (ii) −x, −y, −z+2; (iii) x−1, y, z; (iv) −x+1, −y+1, −z+1. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N4—H41···N1v | 0.90 | 2.35 | 3.207 (9) | 160 |
N4—H42···N1ii | 0.90 | 2.61 | 3.443 (11) | 155 |
Symmetry codes: (ii) −x, −y, −z+2; (v) x, y+1, z. |
Subscribe to Acta Crystallographica Section E: Crystallographic Communications
The full text of this article is available to subscribers to the journal.
If you have already registered and are using a computer listed in your registration details, please email
support@iucr.org for assistance.