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Ethyl 2-benzyl-3-[3-(4-chloro-phen-yl)-1-phenyl-1H-pyrazol-4-yl]-4,6-dioxo-5-phenyl-octa-hydro-pyrrolo-[3,4-c]pyrrole-1-carboxyl-ate.

Kamatchi P, Jagadeesan G, Pramesh M, Perumal PT, Aravindhan S - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The title compound, C(37)H(31)ClN(4)O(4), crystallizes with two mol-ecules (A and B) in the asymmetric unit.The pyrrole rings in both mol-ecules are connected via cis fusion, whereas one ring has a twisted conformation and the other assumes a half-chair conformation.In the crystal, the A mol-ecules form inversion dimers via a pair of C-H⋯Cl inter-actions, while the B mol-ecules form chains propagating in [1[Formula: see text]0], via C-H⋯O inter-actions.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title compound, C(37)H(31)ClN(4)O(4), crystallizes with two mol-ecules (A and B) in the asymmetric unit. The pyrrole rings in both mol-ecules are connected via cis fusion, whereas one ring has a twisted conformation and the other assumes a half-chair conformation. In the crystal, the A mol-ecules form inversion dimers via a pair of C-H⋯Cl inter-actions, while the B mol-ecules form chains propagating in [1[Formula: see text]0], via C-H⋯O inter-actions. In the crystal, there are also a number of C-H⋯π inter-actions present.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of the other independent molecules (B) of the title compound, showing 30% probability displacement ellipsoids and the atom numbering scheme [H atoms have been omitted for clarity].
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Fap2: The molecular structure of the other independent molecules (B) of the title compound, showing 30% probability displacement ellipsoids and the atom numbering scheme [H atoms have been omitted for clarity].


Ethyl 2-benzyl-3-[3-(4-chloro-phen-yl)-1-phenyl-1H-pyrazol-4-yl]-4,6-dioxo-5-phenyl-octa-hydro-pyrrolo-[3,4-c]pyrrole-1-carboxyl-ate.

Kamatchi P, Jagadeesan G, Pramesh M, Perumal PT, Aravindhan S - Acta Crystallogr Sect E Struct Rep Online (2012)

The molecular structure of the other independent molecules (B) of the title compound, showing 30% probability displacement ellipsoids and the atom numbering scheme [H atoms have been omitted for clarity].
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3275287&req=5

Fap2: The molecular structure of the other independent molecules (B) of the title compound, showing 30% probability displacement ellipsoids and the atom numbering scheme [H atoms have been omitted for clarity].
Bottom Line: The title compound, C(37)H(31)ClN(4)O(4), crystallizes with two mol-ecules (A and B) in the asymmetric unit.The pyrrole rings in both mol-ecules are connected via cis fusion, whereas one ring has a twisted conformation and the other assumes a half-chair conformation.In the crystal, the A mol-ecules form inversion dimers via a pair of C-H⋯Cl inter-actions, while the B mol-ecules form chains propagating in [1[Formula: see text]0], via C-H⋯O inter-actions.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title compound, C(37)H(31)ClN(4)O(4), crystallizes with two mol-ecules (A and B) in the asymmetric unit. The pyrrole rings in both mol-ecules are connected via cis fusion, whereas one ring has a twisted conformation and the other assumes a half-chair conformation. In the crystal, the A mol-ecules form inversion dimers via a pair of C-H⋯Cl inter-actions, while the B mol-ecules form chains propagating in [1[Formula: see text]0], via C-H⋯O inter-actions. In the crystal, there are also a number of C-H⋯π inter-actions present.

No MeSH data available.


Related in: MedlinePlus