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Crystal structure of (E)-2-amino-4-methyl-sulfanyl-6-oxo-1-{[(thiophen-2-yl)-methyl-idene]-amino}-1,6-di-hydro-pyrimidine-5-carbo-nitrile.

Elgemeie GH, Salah AM, Mohamed RA, Jones PG - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The title compound, C11H9N5OS2, a 1-thio-phen-2-yl-methyl-ene-amino-pyrimidine derivative, displays an essentially planar C-NH2 group.The conformation across the N=C bond linking the pyrimidine and thienyl groups is E.The pyrimidine and thienyl ring systems subtend an inter-planar angle of 42.72 (5)°.

View Article: PubMed Central - HTML - PubMed

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

ABSTRACT
The title compound, C11H9N5OS2, a 1-thio-phen-2-yl-methyl-ene-amino-pyrimidine derivative, displays an essentially planar C-NH2 group. The conformation across the N=C bond linking the pyrimidine and thienyl groups is E. The pyrimidine and thienyl ring systems subtend an inter-planar angle of 42.72 (5)°. In the crystal, mol-ecules are linked by N-H⋯Nnitrile and N-H⋯O=C hydrogen bonds, forming chains parallel to the b axis.

No MeSH data available.


Related in: MedlinePlus

Crystal packing diagram of the title compound, viewed perpendicular to (102). Classical hydrogen bonds are drawn as thick dashed lines and ‘weak’ hydrogen bonds as thin dashed lines (see Table 1 ▸).
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fig2: Crystal packing diagram of the title compound, viewed perpendicular to (102). Classical hydrogen bonds are drawn as thick dashed lines and ‘weak’ hydrogen bonds as thin dashed lines (see Table 1 ▸).

Mentions: In the crystal, mol­ecules are connected into chains parallel to the b axis by the two classical hydrogen bonds, H041⋯N5 2.51 (2) Å and H042⋯O1 2.14 (2) Å (Table 1 ▸ and Fig. 2 ▸), both involving the 21 screw operator −x + 1, y − , −z + . The longer of these two contacts forms part of a three-center system with the intra­molecular contact H041⋯N2 (Table 1 ▸). The ‘weak’ hydrogen bond H13⋯N5 of 2.49 Å, formed via the c glide operator x + 1, −y + , z − , connects the chains to form layers parallel to (102) (Table 1 ▸ and Fig. 2 ▸).


Crystal structure of (E)-2-amino-4-methyl-sulfanyl-6-oxo-1-{[(thiophen-2-yl)-methyl-idene]-amino}-1,6-di-hydro-pyrimidine-5-carbo-nitrile.

Elgemeie GH, Salah AM, Mohamed RA, Jones PG - Acta Crystallogr E Crystallogr Commun (2015)

Crystal packing diagram of the title compound, viewed perpendicular to (102). Classical hydrogen bonds are drawn as thick dashed lines and ‘weak’ hydrogen bonds as thin dashed lines (see Table 1 ▸).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4644996&req=5

fig2: Crystal packing diagram of the title compound, viewed perpendicular to (102). Classical hydrogen bonds are drawn as thick dashed lines and ‘weak’ hydrogen bonds as thin dashed lines (see Table 1 ▸).
Mentions: In the crystal, mol­ecules are connected into chains parallel to the b axis by the two classical hydrogen bonds, H041⋯N5 2.51 (2) Å and H042⋯O1 2.14 (2) Å (Table 1 ▸ and Fig. 2 ▸), both involving the 21 screw operator −x + 1, y − , −z + . The longer of these two contacts forms part of a three-center system with the intra­molecular contact H041⋯N2 (Table 1 ▸). The ‘weak’ hydrogen bond H13⋯N5 of 2.49 Å, formed via the c glide operator x + 1, −y + , z − , connects the chains to form layers parallel to (102) (Table 1 ▸ and Fig. 2 ▸).

Bottom Line: The title compound, C11H9N5OS2, a 1-thio-phen-2-yl-methyl-ene-amino-pyrimidine derivative, displays an essentially planar C-NH2 group.The conformation across the N=C bond linking the pyrimidine and thienyl groups is E.The pyrimidine and thienyl ring systems subtend an inter-planar angle of 42.72 (5)°.

View Article: PubMed Central - HTML - PubMed

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

ABSTRACT
The title compound, C11H9N5OS2, a 1-thio-phen-2-yl-methyl-ene-amino-pyrimidine derivative, displays an essentially planar C-NH2 group. The conformation across the N=C bond linking the pyrimidine and thienyl groups is E. The pyrimidine and thienyl ring systems subtend an inter-planar angle of 42.72 (5)°. In the crystal, mol-ecules are linked by N-H⋯Nnitrile and N-H⋯O=C hydrogen bonds, forming chains parallel to the b axis.

No MeSH data available.


Related in: MedlinePlus