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Crystal structure of N-(2-amino-5-cyano-4-methyl-sulfanyl-6-oxo-1,6-dihydropyrimidin-1-yl)-4-bromo-benzene-sulfonamide di-methyl-formamide monosolvate.

Elgemeie GH, Mohamed RA, Hussein HA, Jones PG - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The title compound, C12H10BrN5O3S2·C3H7NO, displays an almost planar amine group.The inter-planar angle between the rings is 31.72 (6)°.Adjacent ribbons are connected by translation parallel to the c axis by a 'weak' hydrogen bond Hmeth-yl⋯Osulfon-yl to form a layer structure parallel to (1-10), while a further contact Hbromo-phen-yl⋯Osulfon-yl connects the residues in the third dimension.

View Article: PubMed Central - HTML - PubMed

Affiliation: Chemistry Department, Faculty of Science, Helwan University, Cairo, Egypt.

ABSTRACT
The title compound, C12H10BrN5O3S2·C3H7NO, displays an almost planar amine group. The inter-planar angle between the rings is 31.72 (6)°. The residues are associated into ribbons parallel to [110] by three classical hydrogen bonds; one from each amine Hamine to ODMF and one from NHamide to Ooxo. Adjacent ribbons are connected by translation parallel to the c axis by a 'weak' hydrogen bond Hmeth-yl⋯Osulfon-yl to form a layer structure parallel to (1-10), while a further contact Hbromo-phen-yl⋯Osulfon-yl connects the residues in the third dimension.

No MeSH data available.


Related in: MedlinePlus

Packing diagram of compound (I)· DMF viewed perpendicular to (10). For clarity, only the ipso carbons of the bromo­phenyl groups are shown. Classical hydrogen bonds are indicated by dashed lines.
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fig2: Packing diagram of compound (I)· DMF viewed perpendicular to (10). For clarity, only the ipso carbons of the bromo­phenyl groups are shown. Classical hydrogen bonds are indicated by dashed lines.

Mentions: The components are associated into ribbons parallel to [110] (Fig. 2 ▸) by three classical hydrogen bonds (Table 1 ▸). Two of these, H02⋯O4(1 − x, −y, 1 − z) and H03⋯O4, involve the di­methyl­formamide oxygen atom and lead to the formation of inversion-symmetric rings of graph set (8). The third hydrogen bond, H01⋯O1(2 − x, 1 − y, 1 − z), also forms inversion-symmetric rings, but of graph set (10).


Crystal structure of N-(2-amino-5-cyano-4-methyl-sulfanyl-6-oxo-1,6-dihydropyrimidin-1-yl)-4-bromo-benzene-sulfonamide di-methyl-formamide monosolvate.

Elgemeie GH, Mohamed RA, Hussein HA, Jones PG - Acta Crystallogr E Crystallogr Commun (2015)

Packing diagram of compound (I)· DMF viewed perpendicular to (10). For clarity, only the ipso carbons of the bromo­phenyl groups are shown. Classical hydrogen bonds are indicated by dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4645039&req=5

fig2: Packing diagram of compound (I)· DMF viewed perpendicular to (10). For clarity, only the ipso carbons of the bromo­phenyl groups are shown. Classical hydrogen bonds are indicated by dashed lines.
Mentions: The components are associated into ribbons parallel to [110] (Fig. 2 ▸) by three classical hydrogen bonds (Table 1 ▸). Two of these, H02⋯O4(1 − x, −y, 1 − z) and H03⋯O4, involve the di­methyl­formamide oxygen atom and lead to the formation of inversion-symmetric rings of graph set (8). The third hydrogen bond, H01⋯O1(2 − x, 1 − y, 1 − z), also forms inversion-symmetric rings, but of graph set (10).

Bottom Line: The title compound, C12H10BrN5O3S2·C3H7NO, displays an almost planar amine group.The inter-planar angle between the rings is 31.72 (6)°.Adjacent ribbons are connected by translation parallel to the c axis by a 'weak' hydrogen bond Hmeth-yl⋯Osulfon-yl to form a layer structure parallel to (1-10), while a further contact Hbromo-phen-yl⋯Osulfon-yl connects the residues in the third dimension.

View Article: PubMed Central - HTML - PubMed

Affiliation: Chemistry Department, Faculty of Science, Helwan University, Cairo, Egypt.

ABSTRACT
The title compound, C12H10BrN5O3S2·C3H7NO, displays an almost planar amine group. The inter-planar angle between the rings is 31.72 (6)°. The residues are associated into ribbons parallel to [110] by three classical hydrogen bonds; one from each amine Hamine to ODMF and one from NHamide to Ooxo. Adjacent ribbons are connected by translation parallel to the c axis by a 'weak' hydrogen bond Hmeth-yl⋯Osulfon-yl to form a layer structure parallel to (1-10), while a further contact Hbromo-phen-yl⋯Osulfon-yl connects the residues in the third dimension.

No MeSH data available.


Related in: MedlinePlus