ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Structure of 4-bromophenyl isothiocyanate

L. Ulický and J. Soldánová

Department of Physical Chemistry, Slovak Technical University, CS-812 37 Bratislava

Abstract: In this paper we present the results of X-ray structure analysis of 4-bromophenyl isothiocyanate, which provide information about the crystal and molecular structure of the compound. Crystals of 4-bromophenyl isothiocyanate are orthorhombic: a =2.0215(50) nm, b = 0.8915(10) nm, с = 0.4301(6) nm. Space group is Р2ЛЛ, Z = 4. The crystal structure was solved by the heavy-atom method and refined by the least-squares method with R = 0.074 for 479 observed reflections and for anisotropic thermal parameters for nonhydrogen atoms. Four hydrogen atoms were identified by a difference synthesis.

Full paper in Portable Document Format: 394a473.pdf

Chemical Papers 39 (4) 473–480 (1985)