Crystal Structure of N,N'-Diphenyl-guanidinium m-Chlorobenzeneseleninate
Luciano Antolini, Andrea Marchetti, C. Preti, Mara Tagliazucchi, Lorenzo Tassi, Giuseppe Maria Tosi
Abstract
Luciano Antolini, Andrea Marchetti, C. Preti, Mara Tagliazucchi, Lorenzo Tassi, Giuseppe Maria Tosi
Abstract
The synthesis, and crystal and molecular structure of N,N'- diphenylguanidinium m- chlorobenzeneseleninate (C19H18CIN3O2Se), Mr 434.78, are reported. The crystal lattice of the compound belongs to the monoclinic space group P21/c with a 7.277(1), b 12.793(2), c 20.013(4) ?, ß 94.733(12)°, V 1859.8 ?3, Z 4, Dobs 1.53 (by flotation), Dcalc 1.555 g cm-3, ?(Mo Ka ) 0.71069 ?, µ 21.0 cm-1, F(000) 880, T 293 K, R 0.057 and Rw 0.059 for 1745 unique observed reflections with I>2.0s(I). The crystal packing consists of parallel layers of anions intercalated with cations interacting through electrostatic contacts. Vibrational spectra have been also recorded, and are discussed.
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The synthesis, and crystal and molecular structure of N,N'- diphenylguanidinium m- chlorobenzeneseleninate (C19H18CIN3O2Se), Mr 434.78, are reported. The crystal lattice of the compound belongs to the monoclinic space group P21/c with a 7.277(1), b 12.793(2), c 20.013(4) ?, ß 94.733(12)°, V 1859.8 ?3, Z 4, Dobs 1.53 (by flotation), Dcalc 1.555 g cm-3, ?(Mo Ka ) 0.71069 ?, µ 21.0 cm-1, F(000) 880, T 293 K, R 0.057 and Rw 0.059 for 1745 unique observed reflections with I>2.0s(I). The crystal packing consists of parallel layers of anions intercalated with cations interacting through electrostatic contacts. Vibrational spectra have been also recorded, and are discussed.
Key concepts: Monoclinic crystal system, Crystal structure, Crystallography, Chemistry, Supramolecular chemistry, Crystal (programming language), Lattice energy, Programming language