1991•Australian Journal of ChemistryOpen access

Crystal Structure of N,N'-Diphenyl-guanidinium m-Chlorobenzeneseleninate

Luciano Antolini, Andrea Marchetti, C. Preti, Mara Tagliazucchi, Lorenzo Tassi, Giuseppe Maria Tosi

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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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What this paper is about

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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Available 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.

Key concepts: Monoclinic crystal system, Crystal structure, Crystallography, Chemistry, Supramolecular chemistry, Crystal (programming language), Lattice energy, Programming language

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