Synthesis and Molecular Structures of Two [1,4-bis(3-pyridyl)-2,3-diazo-1,3-butadiene]-dichloro-Zn(II) Coordination Polymers
Abstract
:Introduction
Results and Discussion
Bond Length [Å] | Bond Angle [°] | ||
---|---|---|---|
Zn(1)-Cl(1) | 2.2229(11) | N(1)-Zn(1)-N(4A) | 99.56(13) |
Zn(1)-Cl(2) | 2.2123(9) | N(1)-Zn(1)-Cl(2) | 110.25(10) |
Zn(1)-N(1) | 2.049(3) | N(4A)-Zn(1)-Cl(2) | 104.18(9) |
Zn(1)-N(4A) | 2.057(3) | N(1)-Zn(1)-Cl(1) | 107.14(9) |
N(2)-C(6) | 1.281(5) | N(4A)-Zn(1)-Cl(1) | 107.54(9) |
N(2)-N(3) | 1.415(4) | Cl(2)-Zn(1)-Cl(1) | 125.13(4) |
N(3)-C(7) | 1.272(5) | C(6)-N(2)-N(3) | 109.6(3) |
C(4)-C(6) | 1.477(5) | C(7)-N(3)-N(2) | 112.1(3) |
C(7)-C(11) | 1.467(5) | N(2)-C(6)-C(4) | 120.0(4) |
N(3)-C(7)-C(11) | 119.5(4) |
Bond Length [Å] | Bond Angle [°] | ||
---|---|---|---|
Zn(1)-Cl(1) | 2.2205(6) | N(1)-Zn(1)-N(4A) | 116.22(8) |
Zn(1)-Cl(2) | 2.2336(7) | N(1)-Zn(1)-Cl(2) | 104.83(6) |
Zn(1)-N(1) | 2.047(2) | N(4A)-Zn(1)-Cl(2) | 107.56(6) |
Zn(1)-N(4A) | 2.052(2) | N(1)-Zn(1)-Cl(1) | 103.00(6) |
N(2)-C(6) | 1.262(3) | N(4A)-Zn(1)-Cl(1) | 105.31(6) |
N(2)-N(3) | 1.415(3) | Cl(2)-Zn(1)-Cl(1) | 120.49(3) |
N(3)-C(7) | 1.274(3) | C(6)-N(2)-N(3) | 111.7(2) |
C(4)-C(6) | 1.473(3) | C(7)-N(3)-N(2) | 111.5(2) |
C(7)-C(11) | 1.466(3) | N(2)-C(6)-C(4) | 121.3(2) |
N(3)-C(7)-C(11) | 120.7(2) |
Conclusions
Experimental
General
Synthesis of compound 1
Synthesis of compound 2
X-ray techniques
Compound | 1 | 2 |
---|---|---|
Formula | C12H10N4Cl2Zn | C12H10N4Cl2Zn |
Formula weight | 346.51 | 346.51 |
Crystal system | Orthorhombic | monoclinic |
Space group | Pna21 | P21/n |
Formula per unit cell, Z | 4 | 4 |
Unit-cell dimensions | a = 7.9652(3) Å | a = 9.1752(3) Å |
b = 21.4716(7) Å | b = 14.5976(4) Å | |
c = 8.2491(3) Å | c = 10.3666(3) Å | |
α = β = γ = 90° | α = γ = 90°, β = 98.231(2)° | |
Unit-cell volume, V (Å 3) | 1410.81(9) | 1374.16(7) |
Dcalcd. (g/cm3) | 1.631 | 1.675 |
Absorption coefficient, μ(mm-1) | 2.109 | 2.165 |
F(000) | 696 | 696 |
Crystal size (mm) | 0.50 x 0.08 x 0.05 | 0.25 x 0.15 x 0.03 |
θ ranges (o) for data collection | 1.90 ~ 27.50 | 2.43 ~ 27.50 |
Index ranges | -10 ≦ h ≦ 10 | -11 ≦ h ≦ 11 |
-27 ≦ k ≦ 23 | -17 ≦ k ≦ 18 | |
-10 ≦ l ≦ 10 | -13 ≦ l ≦ 13 | |
Reflections collected | 9123 | 9083 |
Independent reflections | 3184 (Rint = 0.0641) | 3145 (Rint = 0.0453) |
Completeness to θ=27.50 (%) | 100.0 | 99.7 |
Absorption correction | Multi-scan | Multi-scan |
Max. and min. transmission | 0.900 and 0.418 | 0.939 and 0.700 |
Refinement method | Full-matrix L. S. on F2 | Full-matrix L. S. on F2 |
Data / restraints / parameters | 3184 / 1 / 172 | 3145 / 0 / 173 |
Goodness-of-fir on F2 | 1.007 | 1.013 |
Final R indices [I > 2σ(I)] | R1 = 0.0398, wR2 = 0.0695 | R1 = 0.0326, wR2 = 0.0598 |
R indices (all data) | R1 = 0.0718, wR2 = 0.0765 | R1 = 0.0694, wR2 = 0.0672 |
Largest diff. peak and hole (e/ Å 3) | 0.320 and -0.394 | 0.347 and -0.363 |
Acknowledgements
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Lee, G.-H.; Wang, H.-T. Synthesis and Molecular Structures of Two [1,4-bis(3-pyridyl)-2,3-diazo-1,3-butadiene]-dichloro-Zn(II) Coordination Polymers. Molecules 2006, 11, 589-596. https://doi.org/10.3390/11080589
Lee G-H, Wang H-T. Synthesis and Molecular Structures of Two [1,4-bis(3-pyridyl)-2,3-diazo-1,3-butadiene]-dichloro-Zn(II) Coordination Polymers. Molecules. 2006; 11(8):589-596. https://doi.org/10.3390/11080589
Chicago/Turabian StyleLee, Gene-Hsiang, and Hsin-Ta Wang. 2006. "Synthesis and Molecular Structures of Two [1,4-bis(3-pyridyl)-2,3-diazo-1,3-butadiene]-dichloro-Zn(II) Coordination Polymers" Molecules 11, no. 8: 589-596. https://doi.org/10.3390/11080589