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2,5-Dimethyl-3-(3-methyl-thio-phen-2-yl)perhydro-pyrrolo[3,4-d]isoxazole-4,6-dione.

Odabaşoğlu M, Ozkan H, Yıldırır Y, Büyükgüngör O - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: The crystal structure of the title compound, C(12)H(14)N(2)O(3)S, exhibits intra-molecular C-H⋯S and inter-molecular C-H⋯S, C-H⋯O hydrogen bonds, C-S⋯N [S⋯N = 2.980 (2) Å, C-S⋯N = 145.78 (17)°] and C-H⋯π inter-actions; these inter-actions generate two C(5) chains and S(4), S(6) and R(4) (4)(28) ring motifs.The isoxazole ring has an envelope conformation; the N atom, which is the flap atom, is displaced by 0.261 (2) Å from the plane defined by the remaining four atoms.The dihedral angle between the succinimide and thio-phene rings is 46.8 (2)°.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The crystal structure of the title compound, C(12)H(14)N(2)O(3)S, exhibits intra-molecular C-H⋯S and inter-molecular C-H⋯S, C-H⋯O hydrogen bonds, C-S⋯N [S⋯N = 2.980 (2) Å, C-S⋯N = 145.78 (17)°] and C-H⋯π inter-actions; these inter-actions generate two C(5) chains and S(4), S(6) and R(4) (4)(28) ring motifs. The isoxazole ring has an envelope conformation; the N atom, which is the flap atom, is displaced by 0.261 (2) Å from the plane defined by the remaining four atoms. The dihedral angle between the succinimide and thio-phene rings is 46.8 (2)°.

No MeSH data available.


Related in: MedlinePlus

A packing diagram of (I), with hydrogen bonds drawn as dashed lines. H atoms not involved in hydrogen bonds have been omitted for clarity. [Symmetry codes: (i) 3/2 + x, 1/2 + y, 1/2 + z; (ii) 1 - x, 1 - y, -z; (iii) 1 - x, 1 - y, z - 1/2; (iv) 1/2 + x, 1/2 + y, z]
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Fap5: A packing diagram of (I), with hydrogen bonds drawn as dashed lines. H atoms not involved in hydrogen bonds have been omitted for clarity. [Symmetry codes: (i) 3/2 + x, 1/2 + y, 1/2 + z; (ii) 1 - x, 1 - y, -z; (iii) 1 - x, 1 - y, z - 1/2; (iv) 1/2 + x, 1/2 + y, z]


2,5-Dimethyl-3-(3-methyl-thio-phen-2-yl)perhydro-pyrrolo[3,4-d]isoxazole-4,6-dione.

Odabaşoğlu M, Ozkan H, Yıldırır Y, Büyükgüngör O - Acta Crystallogr Sect E Struct Rep Online (2008)

A packing diagram of (I), with hydrogen bonds drawn as dashed lines. H atoms not involved in hydrogen bonds have been omitted for clarity. [Symmetry codes: (i) 3/2 + x, 1/2 + y, 1/2 + z; (ii) 1 - x, 1 - y, -z; (iii) 1 - x, 1 - y, z - 1/2; (iv) 1/2 + x, 1/2 + y, z]
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2961365&req=5

Fap5: A packing diagram of (I), with hydrogen bonds drawn as dashed lines. H atoms not involved in hydrogen bonds have been omitted for clarity. [Symmetry codes: (i) 3/2 + x, 1/2 + y, 1/2 + z; (ii) 1 - x, 1 - y, -z; (iii) 1 - x, 1 - y, z - 1/2; (iv) 1/2 + x, 1/2 + y, z]
Bottom Line: The crystal structure of the title compound, C(12)H(14)N(2)O(3)S, exhibits intra-molecular C-H⋯S and inter-molecular C-H⋯S, C-H⋯O hydrogen bonds, C-S⋯N [S⋯N = 2.980 (2) Å, C-S⋯N = 145.78 (17)°] and C-H⋯π inter-actions; these inter-actions generate two C(5) chains and S(4), S(6) and R(4) (4)(28) ring motifs.The isoxazole ring has an envelope conformation; the N atom, which is the flap atom, is displaced by 0.261 (2) Å from the plane defined by the remaining four atoms.The dihedral angle between the succinimide and thio-phene rings is 46.8 (2)°.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The crystal structure of the title compound, C(12)H(14)N(2)O(3)S, exhibits intra-molecular C-H⋯S and inter-molecular C-H⋯S, C-H⋯O hydrogen bonds, C-S⋯N [S⋯N = 2.980 (2) Å, C-S⋯N = 145.78 (17)°] and C-H⋯π inter-actions; these inter-actions generate two C(5) chains and S(4), S(6) and R(4) (4)(28) ring motifs. The isoxazole ring has an envelope conformation; the N atom, which is the flap atom, is displaced by 0.261 (2) Å from the plane defined by the remaining four atoms. The dihedral angle between the succinimide and thio-phene rings is 46.8 (2)°.

No MeSH data available.


Related in: MedlinePlus