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...
Autores principales: | , , , , |
---|---|
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 |