Synthesis, Structural, Thermal, and Hirshfeld Surface Analysis of In(III) Tris (N-Methyl-N-Phenyl Dithiocarbamate)
Abstract
:1. Introduction
2. Results and Discussion
2.1. Spectroscopic Analysis
2.2. Crystal Structure Description
2.3. Hirshfeld Surface Analysis and 2D Fingerprints
2.4. Thermal Studies
3. Materials and Methods
3.1. Preparation of Tris (N-Methyl-N-phenyldithiocarbamato) Indium(III)
3.2. Single-Crystal X-ray Measurements
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Complex | Indium(III) Tris (N-Methyl-N-phenyldithiocarbamate) |
---|---|
Empirical formula | C24H24InN3S6 |
Formula weight (g/mol) | 661.64 |
Crystal system, space group | Triclinic, P-1 |
a (Å) | 14.6017 (18) |
b (Å) | 14.9653 (18) |
c (Å) | 15.3953 (18) |
α (°) | 62.209 (2) |
β (°) | 76.315 (2) |
ɣ (°) | 72.310 (2) |
V (Å3) | 2817.4 (6) |
Z | 4 |
µ (mm−1) | 1.30 |
Dx (Mg m−3) | 1.560 |
F (000) | 1336 |
Crystal size (mm) | 0.20 × 0.16 × 0.13 |
Crystal habit | Block, colourless |
θmin/θmax (deg) | 2.4/25.5 |
Observed refl. with I > 2σ(I) | 8571 |
Measured reflections | 57,388 |
Independent reflections | 10,615 |
Rint | 0.069 |
Data/restraints/parameters | 10,615/0/607 |
wR(F2) | 0.160 |
R[F2 > 2σ(F2)] | 0.053 |
GooF = S | 1.11 |
Δρmax/Δρmin (e.Å−3) | 3.22/−0.70 |
CCDC number | 2184738 |
D-H···A | D-H | H···A | D···A | D-H···A |
---|---|---|---|---|
C17-H17···S10viii | 0.95 | 2.87 | 3.596(6) | 135 |
C46-H46···S5vi | 0.95 | 2.97 | 3.521(6) | 134 |
X-H···Cg | H···Cg | X···Cg | X-H···Cg |
---|---|---|---|
C(14)-H(14)···Cg(5) | 2.58 | 3.517(7) | 170 |
C(24)-H(24)···Cg(6) | 2.54 | 3.472(6) | 168 |
C(26)-H(26)···Cg(4) | 2.64 | 3.580(6) | 173 |
C(32)-H(32)···Cg(11) | 2.53 | 3.464(7) | 167 |
C(39)-H(39)···Cg(4) | 2.82 | 3.516(7) | 131 |
C(42)-H(42)···Cg(12) | 2.58 | 3.486(7) | 160 |
C(44)-H(44)···Cg(10) | 2.51 | 3.392(6) | 155 |
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Ferjani, H.; Onwudiwe, D.C. Synthesis, Structural, Thermal, and Hirshfeld Surface Analysis of In(III) Tris (N-Methyl-N-Phenyl Dithiocarbamate). Inorganics 2022, 10, 146. https://doi.org/10.3390/inorganics10100146
Ferjani H, Onwudiwe DC. Synthesis, Structural, Thermal, and Hirshfeld Surface Analysis of In(III) Tris (N-Methyl-N-Phenyl Dithiocarbamate). Inorganics. 2022; 10(10):146. https://doi.org/10.3390/inorganics10100146
Chicago/Turabian StyleFerjani, Hela, and Damian C. Onwudiwe. 2022. "Synthesis, Structural, Thermal, and Hirshfeld Surface Analysis of In(III) Tris (N-Methyl-N-Phenyl Dithiocarbamate)" Inorganics 10, no. 10: 146. https://doi.org/10.3390/inorganics10100146