Structural Variations in Manganese Halide Chain Compounds Mediated by Methylimidazolium Isomers
Abstract
:1. Introduction
2. Experimental Section
2.1. Chemicals
2.2. Synthesis
2.3. Characterisation
3. Results and Discussion
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Conflicts of Interest
References
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Compound | [1MiH]MnCl3(H2O) | [4MiH]MnCl3(H2O) |
---|---|---|
Formula | C4N2H7MnCl3(H2O) | C4N2H7MnCl3(H2O) |
Formula weight | 262.42 | 262.42 |
Crystal system | Monoclinic | Monoclinic |
Space group | P21/c | P21/c |
a/Å | 11.6861 (6) | 8.6344 (6) |
b/Å | 7.2891 (4) | 15.1238 (6) |
c/Å | 14.7870 (9) | 7.3164 (3) |
β/° | 130.932 (3) | 95.069(5) |
V/Å3 | 951.59 (10) | 951.68 (9) |
Z | 4 | 4 |
Measured ref | 11543 | 9328 |
Independent ref | 3115 [R(int) = 0.053] | 2565 [R(int) = 0.0315] |
GOOF | 1.059 | 1.028 |
Final R indices (I > 2σ(I)) | R1 = 0.0513 wR2 = 0.0953 | R1 = 0.0318 wR2 = 0.0651 |
Compound | Δd (×104) | σ2 | ∑v (Mn) | ∑v (Cl1) | ∑v (Cl2) | ∑v (Cl3) | ∑v (O1) |
---|---|---|---|---|---|---|---|
[1MiH]MnCl3(H2O) | 20.92 | 12.24 | 1.93 | 0.61 | 0.69 | 0.36 | 0.27 |
[4MiH]MnCl3(H2O) | 27.15 | 6.52 | 1.93 | 0.66 | 0.66 | 0.31 | 0.30 |
[2MiH]MnCl3(H2O) | 21.46 | 16.53 | 1.98 | 0.61 | 0.74 | 0.36 | 0.27 |
(2-aminopyridinium)MnCl3(H2O) | 33.85 | 9.22 | 1.93 | 0.64 | 0.60 | 0.36 | 0.32 |
(pyrazolium)MnCl3(H2O) | 24.72 | 7.22 | 1.99 | 0.72 | 0.63 | 0.34 | 0.29 |
(pyridinium)MnCl3(H2O) | 22.77 | 10.69 | 1.95 | 0.60 | 0.70 | 0.37 | 0.27 |
Compound | D-H…A | d(D-H) | d(H…A) | d(D…A) | ∠(DHA) |
---|---|---|---|---|---|
[1MiH]MnCl3(H2O) | N2-H2…Cl1#1 | 0.88 | 2.54 | 3.256(3) | 139.1 |
N2-H2…O1 | 0.88 | 2.38 | 3.018(4) | 129.9 | |
O1-H1B…Cl3#2 | 0.95 | 2.56 | 3.171(2) | 122.6 | |
O1-H1A…Cl3#3 | 0.95 | 2.32 | 3.201(2) | 154.0 | |
[4MiH]MnCl3(H2O) | O1-H1A…Cl3#3 | 0.95 | 2.41 | 3.227(2) | 144.0 |
O1-H1B…Cl3#2 | 0.95 | 2.54 | 3.177(2) | 124.2 | |
N1-H1…Cl1#1 | 0.88 | 2.82 | 3.363(2) | 121.8 | |
N1-H1…Cl3 | 0.88 | 2.47 | 3.263(2) | 149.9 | |
N2-H2…Cl2#4 | 0.88 | 2.65 | 3.279(2) | 129.1 | |
N2-H2…Cl3#5 | 0.88 | 2.63 | 3.349(2) | 140.0 | |
[2MiH]MnCl3(H2O) | N1-H1B···O2 | 0.88 | 2.25 | 2.959(11) | 138 |
N1-H1B···Cl5 | 0.88 | 2.66 | 3.362(9) | 137 | |
N2-H2B···Cl8 | 0.88 | 2.30 | 3.125(9) | 157 | |
N2-H2B···Cl9 | 0.88 | 2.98 | 3.496(8) | 119 | |
N3-H3A···O3#7 | 0.88 | 2.25 | 2.831(10) | 137 | |
N3-H3A···Cl9#7 | 0.88 | 2.80 | 3.417(8) | 143 | |
N4-H4D···Cl4 | 0.88 | 2.36 | 3.168(8) | 154 | |
N4-H4D···Cl5 | 0.88 | 2.99 | 3.518(9) | 120 | |
O1—H1C···Cl1#1 | 0.85 | 2.67 | 3.180(6) | 128 | |
O1—H1D···Cl8 | 0.85 | 2.70 | 3.152(6) | 122 | |
O2—H2C···Cl4#1 | 0.85 | 2.60 | 3.174(7) | 126 | |
O2—H2D···Cl4#5 | 0.85 | 2.59 | 3.143(6) | 124 | |
O3—H3B···Cl8#2 | 0.85 | 2.64 | 3.160(7) | 129 | |
O3—H3C···Cl1#6 | 0.85 | 2.73 | 3.185(6) | 122 |
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Han, C.; Cordes, D.B.; Slawin, A.M.Z.; Lightfoot, P. Structural Variations in Manganese Halide Chain Compounds Mediated by Methylimidazolium Isomers. Crystals 2020, 10, 930. https://doi.org/10.3390/cryst10100930
Han C, Cordes DB, Slawin AMZ, Lightfoot P. Structural Variations in Manganese Halide Chain Compounds Mediated by Methylimidazolium Isomers. Crystals. 2020; 10(10):930. https://doi.org/10.3390/cryst10100930
Chicago/Turabian StyleHan, Ceng, David B. Cordes, Alexandra M. Z. Slawin, and Philip Lightfoot. 2020. "Structural Variations in Manganese Halide Chain Compounds Mediated by Methylimidazolium Isomers" Crystals 10, no. 10: 930. https://doi.org/10.3390/cryst10100930