On a possible substitution of p-xylene by toluene in p-xylene crystals. The crystal structure of p-xylene, C8H10, at 180 K

<h2>Acta Crystallographica Section B</h2><h3>Structural Science</h3><h3>0108-7681</h3> <h2>research papers</h2> Volume 42 Part 5 Pages 491-497 October 1986 <h2>On a possible substitution of p -xylene by toluene in p -xylene crystals. The crystal structure of p -xylene, C 8 H 10 , at 180 K</h2> H. van Koningsveld, A. J. van den Berg, J. C. Jansen and R. de Goede 491 Acta Cryst. (1986). B42, 491-497 On a Possible Substitution of p-Xylene by Toluene in p-Xylene Crystals. The Crystal Structure of p-Xylene, CsH1o, at 180 K BY H. VAN KONINGSVELD AND m. J. VAN DEN BERG Laboratory of Applied Physics, Delft University of Technology, Lorentzweg 1, 2628 CJ Delft, The Netherlands J. C. JANSEN Laboratory of Organic Chemistry, Delft University of Technology, Julianalaan 136, 2628 BL Delft, The Netherlands AND R. DE GOEDE Laboratory of Process Equipment, Delft University of Technology, Leeghwaterstraat 44, 2628 CA Delft, The Netherlands (Received 21 October 1985; accepted 11 March 1986) Abstract Mr=106.17, monoclinic, P21/n, a=5.806(2), b= 5.023 (1), c=11.215 (2)/~, fl=100.48(2)°, V= 321.61 (14) A3, Z = 2, Dx = 1.096 gcm-3, A(Mo Ka)=0.71069/~,, /x =0.66cm-1, F(000) = 116, T= 180 K, R = 0.045 for 926 reflections [I > 2.5o-(I)]. The cell dimensions are confirmed by powder diffrac- tion. No phase transition is observed between 110 and 273 K. The crystal data reported by Biswas [Indian J. Phys. (1960), 34, 263-271] are incorrect. The bond lengths and bond angles in p-xylene are equal to the corresponding values in toluene within experimental error. The aromatic ring is...