The Crystal Structure of Purine

Author: Sweet, Robert Mahlon

Year: 1965

Degree: Bachelor's thesis

Advisor: Marsh, Richard Edward

Committee Member: Unknown, Unknown

Option: Chemistry

DOI: 10.7907/tdyf-te67

Abstract

The crystal structure of Purine, C₅N₄H₄, has been determined and refined by Fourier and least-squares analyses of complete three-dimensional diffraction data from Copper X-radiation. The crystals are Orthorhombic with space group Pna2₁. The unit cell dimensions are a = 15.551, b = 9.3751, and c = 3.6626 Å. Least-squares refinement of the positional parameters of all 13 atoms and of the individual anisotropic temperature factors of the nine heavy atoms, using the 570 observed reflections of non-zero weight, yielded a final R factor of 0.070.

The molecule containing two fused rings is planar. There is a Hydrogen on N(7) and none on N(9). N(7) participate in a Hydrogen bond of length 2.85 Å with N(9).

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