New inclusion compounds of selenourea with tetraethyl- and tetra-n-propylammonium halides
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AbstractAir-sensitive selenourea inclusion complexes tetraethylammonium chloride-selenourea (1/2), (C2H4)(4)N+.Cl-.2[(NH2)(2)CSe] (1), tetra-n-propylammonium chloride-selenourea (1/3), (n-C2H7)(4)N+.-Cl-.3[(NH2)(2)CSe] (2), tetra-n-propylammonium bromide-selenourea (1/3), (n-C3H7)(4)N+.Br-.3[(NH2)(2)CSe] (3), and tetra-n-propylammonium iodide-selenourea (1/1), (n-C3H7)(4)N+.I-.(NH2)(2)CSe (4), have been prepared and characterized by X-ray crystallography. Crystal data, Mo K alpha radiation: (1), space group P2(1)/n, Z = 4, a = 8.768 (5), b = 11.036 (6), c = 19.79 (1) Angstrom, beta = 96.92 (1)degrees, R-F = 0.055 for 1468 observed data; (2), space group Cc, Z = 4, a = 18.091 (4), b = 13.719 (3), c = 11.539 (2) Angstrom, beta = 111.93 (3)degrees, R-F = 0.051 for 1187 observed data; (3), c = 11.577 (2) Angstrom, beta = 112.45 (3)degrees, R-F = 0.019 for 1592 observed data; (4), space group P2(1)/n, Z = 4, a = 8.976 (1), b = 14.455 (2), c = 15.377 (3) Angstrom, beta = 94.16 (1)degrees, R-F = 0.062 for 1984 observed data. In the crystal structure of (1) the parallel alternate arrangement of selenourea-chloride ribbons and selenourea chains generates a puckered layer and the cations are sandwiched between them. In the iosmorphous complexes (2) and (3) wide selenourea-halide double ribbons are crosslinked by bridging selenourea molecules via N--H ... Se and N--H ... X hydrogen bonds [average N ... Se = 3.521 (8) and 3.527 (7), N ... Cl = 3.354 (8) and N ... Br = 3.500 (7) Angstrom in (2) and (3), respectively] to form a channel-like three dimensional network and the cations are accommodated in a single column within each channel. In the crystal structure of (4) the selenourea molecules are joined in the shoulder-to-shoulder fashion via N--H ... Se hydrogen bonds [N ... Se = 3.529 (7) and 3.534 (7) Angstrom] to generate a ribbon and each selenourea molecule also forms a pair of chelating N--H ... I hydrogen bonds [N ... I = 3.567 (7) and 3.652 (7) Angstrom] to an adjacent iodide ion.
All Author(s) ListLi Q, Mak TCW
Journal nameActa Crystallographica Section B: Structural Science
Year1997
Month4
Day1
Volume Number53
PublisherMUNKSGAARD INT PUBL LTD
Pages262 - 271
ISSN0108-7681
eISSN1600-5740
LanguagesEnglish-United Kingdom
Web of Science Subject CategoriesChemistry; Chemistry, Multidisciplinary; Crystallography; CRYSTALLOGRAPHY

Last updated on 2021-13-01 at 01:09