Crystal system: orthorhombic
| a: | 7.748 (±0.002) Å |
| b: | 7.79 (±0.002) Å |
| c: | 20.859 (±0.003) Å |
| α: | 90° |
| β: | 90° |
| γ: | 90° |
Starting materials: Lead chloride, 2-naphthylmethyl-amine, HCl, DMF
Product: Colorless crystals
Description: Slowly evaporate the solvent from a solution of lead chloride and 2-naphthylmethyl-ammonium chloride with the ratio 1:2 in dimethylformamide. Prepare 2-naphthylmethyl-amine (NMA) according to the procedure outlined in [1] and [2]. Add a stoichiometric amount of 37% concentrated HCl to prepare the adjunct hydrochloride salt.
Comment: References: [1] Ellis, G. P.; Romney-Alexander, T. M.: Cyanation of Aromatic Halides. Chem. Rev. 87 (1987) 779. [2] Dahn,H.; Zoller,P.;Solms,U.:Über die Hydrogenolyse von alpha- und beta-Menaphthylamin-Derivaten. Helv. Chim. Acta 37 (1954) 569.
Method: X-ray diffraction
Description: Nicolet P3, Wyckoff diffractometer with Mo Ka radiation (0.71073 Â)
Crystal system: tetragonal
| a: | 41.67489752 Å |
| b: | 7.653734394 Å |
| c: | 7.698705415 Å |
| α: | 90.00198111° |
| β: | 90.003424° |
| γ: | 89.9997466° |
Code: FHI-aims
Level of theory: Density Functional Theory (DFT)
Exchange-correlation functional: PBE+TS
K-point grid: 2x5x5
Level of relativity: atomic ZORA
Basis set definition: intermediate