4.3 Article

Crystal structures of N,N′-(m-tolyl)thiourea and N,N′-(p-tolyl)thiourea

Journal

ANALYTICAL SCIENCES
Volume 19, Issue 7, Pages 1087-1088

Publisher

JAPAN SOC ANALYTICAL CHEMISTRY
DOI: 10.2116/analsci.19.1087

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C(15)H(16)N(2)S is monoclinic [orthorhombic], P2(1)/c [Pbcn]. Unit-cell dimensions at 293 K are a = 9.506(1), b = 7.629(1), c = 20.077(1)Angstrom, beta = 99.93(1)degrees, V = 1434.2(2)Angstrom(3), D(x) = 1.187 g/cm(3), and Z = 4 [a = 11.806(2), b = 13.954(2), c = 8.466(1)Angstrom, V = 1394.7(3)Angstrom(3), D(x) = 1.221 g/cm(3), and Z = 8]. The R value is 0.049 [0.045] for 1620 [1229] observed reflections. The dihedral angle between the tolyl rings is 53.6(1)degrees [47.9(1)degrees]. The crystal structures are stabilized by N-H...S hydrogen bonds and van der Waals forces.

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