Crystal structure of 5,5′-[(4-fluoro­phen­yl)methyl­ene]bis­[6-amino-1,3-di­methyl­pyrimidine-2,4(1H,3H)-dione]

In the title mol­ecule, C(19)H(21)FN(6)O(4), the dihedral angles between the benzene ring and essentially planar pyrimidine rings [maximum deviations of 0.036 (2) and 0.056 (2) Å] are 73.32 (7) and 63.81 (8)°. The dihedral angle between the mean planes of the pyrimidine rings is 61.43 (6)°. In the c...

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Autores principales: Sharma, Naresh, Brahmachari, Goutam, Banerjee, Bubun, Kant, Rajni, Gupta, Vivek K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257154/
https://www.ncbi.nlm.nih.gov/pubmed/25484692
http://dx.doi.org/10.1107/S1600536814019886
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author Sharma, Naresh
Brahmachari, Goutam
Banerjee, Bubun
Kant, Rajni
Gupta, Vivek K.
author_facet Sharma, Naresh
Brahmachari, Goutam
Banerjee, Bubun
Kant, Rajni
Gupta, Vivek K.
author_sort Sharma, Naresh
collection PubMed
description In the title mol­ecule, C(19)H(21)FN(6)O(4), the dihedral angles between the benzene ring and essentially planar pyrimidine rings [maximum deviations of 0.036 (2) and 0.056 (2) Å] are 73.32 (7) and 63.81 (8)°. The dihedral angle between the mean planes of the pyrimidine rings is 61.43 (6)°. In the crystal, N—H⋯O hydrogen bonds link mol­ecules, forming a two-dimensional network parallel to (001) and in combination with weak C—H⋯O hydrogen bonds, a three-dimensional network is formed. Weak C—H⋯π inter­actions and π–π inter­actions, with a centroid–centroid distance of 3.599 (2) Å are also observed.
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spelling pubmed-42571542014-12-05 Crystal structure of 5,5′-[(4-fluoro­phen­yl)methyl­ene]bis­[6-amino-1,3-di­methyl­pyrimidine-2,4(1H,3H)-dione] Sharma, Naresh Brahmachari, Goutam Banerjee, Bubun Kant, Rajni Gupta, Vivek K. Acta Crystallogr Sect E Struct Rep Online Data Reports In the title mol­ecule, C(19)H(21)FN(6)O(4), the dihedral angles between the benzene ring and essentially planar pyrimidine rings [maximum deviations of 0.036 (2) and 0.056 (2) Å] are 73.32 (7) and 63.81 (8)°. The dihedral angle between the mean planes of the pyrimidine rings is 61.43 (6)°. In the crystal, N—H⋯O hydrogen bonds link mol­ecules, forming a two-dimensional network parallel to (001) and in combination with weak C—H⋯O hydrogen bonds, a three-dimensional network is formed. Weak C—H⋯π inter­actions and π–π inter­actions, with a centroid–centroid distance of 3.599 (2) Å are also observed. International Union of Crystallography 2014-09-10 /pmc/articles/PMC4257154/ /pubmed/25484692 http://dx.doi.org/10.1107/S1600536814019886 Text en © Sharma et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Sharma, Naresh
Brahmachari, Goutam
Banerjee, Bubun
Kant, Rajni
Gupta, Vivek K.
Crystal structure of 5,5′-[(4-fluoro­phen­yl)methyl­ene]bis­[6-amino-1,3-di­methyl­pyrimidine-2,4(1H,3H)-dione]
title Crystal structure of 5,5′-[(4-fluoro­phen­yl)methyl­ene]bis­[6-amino-1,3-di­methyl­pyrimidine-2,4(1H,3H)-dione]
title_full Crystal structure of 5,5′-[(4-fluoro­phen­yl)methyl­ene]bis­[6-amino-1,3-di­methyl­pyrimidine-2,4(1H,3H)-dione]
title_fullStr Crystal structure of 5,5′-[(4-fluoro­phen­yl)methyl­ene]bis­[6-amino-1,3-di­methyl­pyrimidine-2,4(1H,3H)-dione]
title_full_unstemmed Crystal structure of 5,5′-[(4-fluoro­phen­yl)methyl­ene]bis­[6-amino-1,3-di­methyl­pyrimidine-2,4(1H,3H)-dione]
title_short Crystal structure of 5,5′-[(4-fluoro­phen­yl)methyl­ene]bis­[6-amino-1,3-di­methyl­pyrimidine-2,4(1H,3H)-dione]
title_sort crystal structure of 5,5′-[(4-fluoro­phen­yl)methyl­ene]bis­[6-amino-1,3-di­methyl­pyrimidine-2,4(1h,3h)-dione]
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257154/
https://www.ncbi.nlm.nih.gov/pubmed/25484692
http://dx.doi.org/10.1107/S1600536814019886
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AT guptavivekk crystalstructureof554fluorophenylmethylenebis6amino13dimethylpyrimidine241h3hdione

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