Nura Suleiman Gwaram - Two new polymorphs of 2,6-diaminopyrimidin-4(3H)-one monohydrate, Acta Cryst. (2011). C67, o6–o9

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  Publication Details (including relevant citation   information):

  Nura Suleiman Gwaram, Hamid Khaledi, Hapipah Mohd Ali and Marilyn   M. Olmstead

  Acta Cryst. (2011). C67, o6–o9

  aDepartment of Chemistry, University of Malaya, 50603 Kuala   Lumpur, Malaysia,
  and bDepartment of Chemistry, University of California, One   Shields Avenue, Davis,
  CA 95616, USA
  Correspondence e-mail: khaledi@siswa.um.edu.my
  Received 9 October 2010
  Accepted 9 November 2010
  Online 8 December 2010

  Abstract:

  The title compound, C4H6N4OH2O, crystallized simultaneously
  as a triclinic and a monoclinic polymorph from an
  aqueous solution of 2,4-diaminopyrimidin-6-ol. Previously, an
  orthorhombic polymorph was isolated under the same
  experimental conditions. The molecular geometric parameters
  in the two present polymorphs and the previously reported
  orthorhombic polymorph are similar, but the structures differ
  in the details of their crystal packing. In the triclinic   system,
  the diaminopyrimidinone molecules are connected to one
  another via N—H O and N—H N hydrogen bonding to
  form infinite chains in the [011] direction. The chains are
  further hydrogen bonded to the water molecules, resulting in   a
  three-dimensional network. In the monoclinic system, the
  diaminopyrimidinone molecules are hydrogen bonded
  together into two-dimensional networks parallel to the bc
  plane. The water molecules link the planes to form a   threedimensional
  polymeric structure.

  Address (URL): http://journals.iucr.org/c/

 

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