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The crystal and molecular structure of pyrimidine

<h2>Acta Crystallographica</h2><h3></h3><h3>0365-110X</h3> <h2>research papers</h2> Volume 13 Part 2 Pages 80-85 February 1960 <h2>The crystal and molecular structure of pyrimidine</h2> P. J. Wheatley Acta Cryst. (1960). 13, 80 The Crystal and Molecular Structure of Pyrimidine BY P. J. WHEATLEY Monsanto Research S.A., Binzstrasse 39, Zurich 3/45, Switzerland (Received 25 .May 1959) The crystal structure of pyrimidine has been determined by a three-dimensional least-squares anal- ysis. The crystals are orthorhombic, Pna2z, with four molecules in the unit cell. No molecular sym- metry is required, and there seems to be a slight but significant departure from the expected mm symmetry. The bond lengths obtained from the X-ray analysis have been corrected for the effects of thermal motion which is very important in these simple cyclic molecules. The final R factor is 8.7%. Experimental Pyrimidine (I) melts at 21 °C. and, like the other azines, volatilizes H i N~C~N I II (I) H/C~c/C~H i H very readily. The crystals used to obtain the X-ray diffraction intensities were grown from the melt in thin-walled Lindemann-glass capillaries of 0.25 mm. internal diameter. The exposures were taken at -2 °C. in a cold-room. Cu Ka radiation and the multiple-film technique were used to take Weissenberg http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica International Union of Crystallography

The crystal and molecular structure of pyrimidine

Abstract

<h2>Acta Crystallographica</h2><h3></h3><h3>0365-110X</h3> <h2>research papers</h2> Volume 13 Part 2 Pages 80-85 February 1960 <h2>The crystal and molecular structure of pyrimidine</h2> P. J. Wheatley Acta Cryst. (1960). 13, 80 The Crystal and Molecular Structure of Pyrimidine BY P. J. WHEATLEY Monsanto Research S.A., Binzstrasse 39, Zurich 3/45, Switzerland (Received 25 .May 1959) The crystal structure of pyrimidine has been determined by a three-dimensional least-squares anal- ysis. The crystals are orthorhombic, Pna2z, with four molecules in the unit cell. No molecular sym- metry is required, and there seems to be a slight but significant departure from the expected mm symmetry. The bond lengths obtained from the X-ray analysis have been corrected for the effects of thermal motion which is very important in these simple cyclic molecules. The final R factor is 8.7%. Experimental Pyrimidine (I) melts at 21 °C. and, like the other azines, volatilizes H i N~C~N I II (I) H/C~c/C~H i H very readily. The crystals used to obtain the X-ray diffraction intensities were grown from the melt in thin-walled Lindemann-glass capillaries of 0.25 mm. internal diameter. The exposures were taken at -2 °C. in a cold-room. Cu Ka radiation and the multiple-film technique were used to take Weissenberg
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