Cargando…

N,N′-Bis(pyrimidin-2-yl)terephthalamide dihydrate

The organic mol­ecule 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 ri...

Descripción completa

Detalles Bibliográficos
Autores principales: Chantrapromma, Suchada, Fun, Hoong-Kun, Jana, Subrata, Hazra, Anita, Goswami, Shyamaprosad
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2007
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915323/
https://www.ncbi.nlm.nih.gov/pubmed/21200832
http://dx.doi.org/10.1107/S1600536807065683
_version_ 1782184913544413184
author Chantrapromma, Suchada
Fun, Hoong-Kun
Jana, Subrata
Hazra, Anita
Goswami, Shyamaprosad
author_facet Chantrapromma, Suchada
Fun, Hoong-Kun
Jana, Subrata
Hazra, Anita
Goswami, Shyamaprosad
author_sort Chantrapromma, Suchada
collection PubMed
description The organic mol­ecule 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 mol­ecules are linked by N—H⋯N and C—H⋯N hydrogen bonds into a two-dimensional network parallel to the (1[Image: see text]1) plane. O—H⋯O and C—H⋯O hydrogen bonds involving the water mol­ecules link the adjacent layers into a three-dimensional network. In addition, a C—H⋯π inter­action involving the benzene ring is observed.
format Text
id pubmed-2915323
institution National Center for Biotechnology Information
language English
publishDate 2007
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29153232010-12-30 N,N′-Bis(pyrimidin-2-yl)terephthalamide dihydrate Chantrapromma, Suchada Fun, Hoong-Kun Jana, Subrata Hazra, Anita Goswami, Shyamaprosad Acta Crystallogr Sect E Struct Rep Online Organic Papers The organic mol­ecule 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 mol­ecules are linked by N—H⋯N and C—H⋯N hydrogen bonds into a two-dimensional network parallel to the (1[Image: see text]1) plane. O—H⋯O and C—H⋯O hydrogen bonds involving the water mol­ecules link the adjacent layers into a three-dimensional network. In addition, a C—H⋯π inter­action involving the benzene ring is observed. International Union of Crystallography 2007-12-12 /pmc/articles/PMC2915323/ /pubmed/21200832 http://dx.doi.org/10.1107/S1600536807065683 Text en © International Union of Crystallography 2008 http://journals.iucr.org/services/termsofuse.html This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html.
spellingShingle Organic Papers
Chantrapromma, Suchada
Fun, Hoong-Kun
Jana, Subrata
Hazra, Anita
Goswami, Shyamaprosad
N,N′-Bis(pyrimidin-2-yl)terephthalamide dihydrate
title N,N′-Bis(pyrimidin-2-yl)terephthalamide dihydrate
title_full N,N′-Bis(pyrimidin-2-yl)terephthalamide dihydrate
title_fullStr N,N′-Bis(pyrimidin-2-yl)terephthalamide dihydrate
title_full_unstemmed N,N′-Bis(pyrimidin-2-yl)terephthalamide dihydrate
title_short N,N′-Bis(pyrimidin-2-yl)terephthalamide dihydrate
title_sort n,n′-bis(pyrimidin-2-yl)terephthalamide dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915323/
https://www.ncbi.nlm.nih.gov/pubmed/21200832
http://dx.doi.org/10.1107/S1600536807065683
work_keys_str_mv AT chantraprommasuchada nnbispyrimidin2ylterephthalamidedihydrate
AT funhoongkun nnbispyrimidin2ylterephthalamidedihydrate
AT janasubrata nnbispyrimidin2ylterephthalamidedihydrate
AT hazraanita nnbispyrimidin2ylterephthalamidedihydrate
AT goswamishyamaprosad nnbispyrimidin2ylterephthalamidedihydrate