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Ethyl 2-(2-acetoxy-benzyl-idene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.

Jotani MM, Baldaniya BB, Tiekink ER - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: In the title mol-ecule, C(25)H(22)N(2)O(5)S, the atoms of the thia-zolopyrimidine ring system, with the exception of the phenyl-bearing C atom [deviation = 0.177 (2) Å], are essentially planar [r.m.s deviation = 0.100 (2) °] and the mean plane of these atoms forms dihedral angles of 89.86 (10) and 7.97 (8)° with the phenyl and benzene rings, respectively.In the crystal, co-operative C-H⋯O and C-H⋯π inter-actions lead to a supra-molecular chain along the a axis.These chains are connected via π-π inter-actions [centroid-centroid = 3.7523 (13) Å].

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ABSTRACT
In the title mol-ecule, C(25)H(22)N(2)O(5)S, the atoms of the thia-zolopyrimidine ring system, with the exception of the phenyl-bearing C atom [deviation = 0.177 (2) Å], are essentially planar [r.m.s deviation = 0.100 (2) °] and the mean plane of these atoms forms dihedral angles of 89.86 (10) and 7.97 (8)° with the phenyl and benzene rings, respectively. In the crystal, co-operative C-H⋯O and C-H⋯π inter-actions lead to a supra-molecular chain along the a axis. These chains are connected via π-π inter-actions [centroid-centroid = 3.7523 (13) Å].

No MeSH data available.


Related in: MedlinePlus

A view in projection down the a axis highlighting the π–π interactions (purple dashed lines) connecting supramolecular chains in (I). The C–H···O contacts are shown as orange dashed lines. Colour code: S, yellow; O, red; N, blue; C, grey; and H, green.
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Fap3: A view in projection down the a axis highlighting the π–π interactions (purple dashed lines) connecting supramolecular chains in (I). The C–H···O contacts are shown as orange dashed lines. Colour code: S, yellow; O, red; N, blue; C, grey; and H, green.


Ethyl 2-(2-acetoxy-benzyl-idene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.

Jotani MM, Baldaniya BB, Tiekink ER - Acta Crystallogr Sect E Struct Rep Online (2010)

A view in projection down the a axis highlighting the π–π interactions (purple dashed lines) connecting supramolecular chains in (I). The C–H···O contacts are shown as orange dashed lines. Colour code: S, yellow; O, red; N, blue; C, grey; and H, green.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2983806&req=5

Fap3: A view in projection down the a axis highlighting the π–π interactions (purple dashed lines) connecting supramolecular chains in (I). The C–H···O contacts are shown as orange dashed lines. Colour code: S, yellow; O, red; N, blue; C, grey; and H, green.
Bottom Line: In the title mol-ecule, C(25)H(22)N(2)O(5)S, the atoms of the thia-zolopyrimidine ring system, with the exception of the phenyl-bearing C atom [deviation = 0.177 (2) Å], are essentially planar [r.m.s deviation = 0.100 (2) °] and the mean plane of these atoms forms dihedral angles of 89.86 (10) and 7.97 (8)° with the phenyl and benzene rings, respectively.In the crystal, co-operative C-H⋯O and C-H⋯π inter-actions lead to a supra-molecular chain along the a axis.These chains are connected via π-π inter-actions [centroid-centroid = 3.7523 (13) Å].

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title mol-ecule, C(25)H(22)N(2)O(5)S, the atoms of the thia-zolopyrimidine ring system, with the exception of the phenyl-bearing C atom [deviation = 0.177 (2) Å], are essentially planar [r.m.s deviation = 0.100 (2) °] and the mean plane of these atoms forms dihedral angles of 89.86 (10) and 7.97 (8)° with the phenyl and benzene rings, respectively. In the crystal, co-operative C-H⋯O and C-H⋯π inter-actions lead to a supra-molecular chain along the a axis. These chains are connected via π-π inter-actions [centroid-centroid = 3.7523 (13) Å].

No MeSH data available.


Related in: MedlinePlus