Synthesis and Molecular Structure of 2-(Diphenylphosphano)phenyl Benzoate Borane Adduct
Abstract
:1. Introduction
2. Results and Discussion
Crystal data | Refinement | ||
---|---|---|---|
Formula | C25H22BO2P | F(000) | 416 |
Formula weight | 396.20 g·mol−1 | Refinement method | Full-matrix least-squares on F2 |
Temperature | 98 K | – | – |
Wavelength | 0.71073 Å | Data/restraints/parameters | 5616/0/274 |
Crystal system | Triclinic | – | – |
Space group | P | Goodness-of-fit on F2 | 1.08 |
Unit cell dimensions | a = 8.677(1) Å | – | – |
b = 9.202(1) Å | Final R indices | R1 = 0.0335 | |
c = 14.224(2) Å | [I > 2σ(I)] | wR2 = 0.0906 | |
α = 72.600(7)° | |||
β = 73.577(7)° | R indices (all data) | R1 = 0.0386 | |
γ =84.399(7)° | |||
Volume | 1039.5(2) Å3 | – | wR2 = 0.0949 |
Z | 2 | Largest diff. peak and hole | 0.51/−0.28 e·Å−3 |
Density (calcd.) | 1.266 g·cm−3 | – | – |
Absorption coefficient | 0.15 mm−1 | – | – |
Crystal size | 0.37 × 0.35 × 0.31 mm3 | – | – |
Atoms | Distance | Atoms | Distance |
---|---|---|---|
P1−C1 | 1.815(1) | C18−O1 | 1.397(1) |
P1−C7 | 1.808(1) | O1−C19 | 1.374(1) |
P1−C13 | 1.822(1) | C19−O2 | 1.203(1) |
P1−B1 | 1.932(1) | C19−C20 | 1.481(2) |
3. Experimental Section
3.1. Synthesis of 2-(Diphenylphosphano)phenyl Benzoate Borane Adduct (4)
3.2. Data Collection and Refinement
4. Conclusions
Acknowledgement
Author Contributions
Conflicts of Interest
References
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Mamat, C.; Köckerling, M. Synthesis and Molecular Structure of 2-(Diphenylphosphano)phenyl Benzoate Borane Adduct. Crystals 2015, 5, 9-13. https://doi.org/10.3390/cryst5010009
Mamat C, Köckerling M. Synthesis and Molecular Structure of 2-(Diphenylphosphano)phenyl Benzoate Borane Adduct. Crystals. 2015; 5(1):9-13. https://doi.org/10.3390/cryst5010009
Chicago/Turabian StyleMamat, Constantin, and Martin Köckerling. 2015. "Synthesis and Molecular Structure of 2-(Diphenylphosphano)phenyl Benzoate Borane Adduct" Crystals 5, no. 1: 9-13. https://doi.org/10.3390/cryst5010009
APA StyleMamat, C., & Köckerling, M. (2015). Synthesis and Molecular Structure of 2-(Diphenylphosphano)phenyl Benzoate Borane Adduct. Crystals, 5(1), 9-13. https://doi.org/10.3390/cryst5010009