Nonlinear-optical, optical, and crystallographic properties of N-(4-nitro-2-pyridinyl)-phenylalaninol

Single crystals of N-(4-nitro-2-pyridinyl)-phenylalaninol [CA index name (S)-β-((5-nitro-2-pyridinyl)-amino)-benzenepropanol, CA registration number 115416-53-0] were grown from solution. The crystal structure was determined by x-ray analysis: space group P21, a = 11.791 Å, b = 6.032 Å, c = 9.959 Å, β = 100.55°, Z = 2. The refractive indices were determined in the spectral range of 470 to 1320 nm with an interferometric and a conoscopic method that are explained in detail. The highest nonlinear-optical coefficient was d23 = 31 pm/V. The nonlinear-optical properties are discussed in terms of crystalline structure and molecular hyperpolarizabilities.