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N,N'-Bis(pyrimidin-2-yl)terephthalamide dihydrate.

ABSTRACT: The organic mol-ecule of the title compound, C(16)H(12)N(6)O(2)·2H(2)O, lies across a crystallographic inversion centre. The dihedral angle between the pyrimidine and benzene rings is 80.78?(6)°. The two pyrimidine rings are parallel by virtue of the centre of symmetry. The pyrimidine and benzene rings form dihedral angles of 41.41?(7) and 40.26?(7)°, respectively, with the amide plane. The mol-ecules are linked by N-H?N and C-H?N hydrogen bonds into a two-dimensional network parallel to the (11) plane. O-H?O and C-H?O hydrogen bonds involving the water mol-ecules link the adjacent layers into a three-dimensional network. In addition, a C-H?? inter-action involving the benzene ring is observed.

SUBMITTER: Chantrapromma S

PROVIDER: S-EPMC2915323 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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N,N'-Bis(pyrimidin-2-yl)terephthalamide dihydrate.

Chantrapromma Suchada S Fun Hoong-Kun HK Jana Subrata S Hazra Anita A Goswami Shyamaprosad S

Acta crystallographica. Section E, Structure reports online 20071212 Pt 1

The organic mol-ecule of the title compound, C(16)H(12)N(6)O(2)·2H(2)O, lies across a crystallographic inversion centre. The dihedral angle between the pyrimidine and benzene rings is 80.78 (6)°. The two pyrimidine rings are parallel by virtue of the centre of symmetry. The pyrimidine and benzene rings form dihedral angles of 41.41 (7) and 40.26 (7)°, respectively, with the amide plane. The mol-ecules are linked by N-H⋯N and C-H⋯N hydrogen bonds into a two-dimensional network parallel to the (11 ...[more]

PMID: 21200832

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