Limits...
Ethyl 7-oxo-3,5-diphenyl-1,4-diazepane-2-carboxyl-ate.

Jagadeesan G, Sethusankar K, Selvakumar P, Thennarasu S, Mandal AB - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The carbonyl-group O atoms deviate significantly from the diazepane rings, by 0.685 (14) and 0.498 (13) Å.In the crystal, N-H⋯O inter-actions generate R(2) (2)(8) graph-set motifs and C-H⋯O inter-actions generate R(2) (2)(10) and R(2) (2)(14) graph-set motifs.C-H⋯π inter-actions also occur.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title compound, C(20)H(22)N(2)O(3), crystallizes with two independent mol-ecules in the asymmetric unit. In both mol-ecules, the diazepane rings adopt chair conformations. The mean planes of the diazepane rings in the two molecules form dihedral angles of 71.6 (4)/40.3 (5) and 75.9 (5)/58.6 (7)° with the neighbouring benzene rings. The carbonyl-group O atoms deviate significantly from the diazepane rings, by 0.685 (14) and 0.498 (13) Å. The eth-oxy-carbonyl groups show conformational difference between two mol-ecules, as reflected in the orientation of the carbonyl O atoms and the C-C-O-C torsion angle of -179.0 (2)° in one mol-ecule and 73.2 (2)° in the other. In one molecule there is a short N-H⋯O contact that generates an S(5) ring motif. In the crystal, N-H⋯O inter-actions generate R(2) (2)(8) graph-set motifs and C-H⋯O inter-actions generate R(2) (2)(10) and R(2) (2)(14) graph-set motifs. C-H⋯π inter-actions also occur.

No MeSH data available.


Related in: MedlinePlus

Molecule 2 of the title compound. Displacement ellipsoids are drawn at the 30% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
getmorefigures.php?uid=PMC3344629&req=5

Fap2: Molecule 2 of the title compound. Displacement ellipsoids are drawn at the 30% probability level.


Ethyl 7-oxo-3,5-diphenyl-1,4-diazepane-2-carboxyl-ate.

Jagadeesan G, Sethusankar K, Selvakumar P, Thennarasu S, Mandal AB - Acta Crystallogr Sect E Struct Rep Online (2012)

Molecule 2 of the title compound. Displacement ellipsoids are drawn at the 30% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3344629&req=5

Fap2: Molecule 2 of the title compound. Displacement ellipsoids are drawn at the 30% probability level.
Bottom Line: The carbonyl-group O atoms deviate significantly from the diazepane rings, by 0.685 (14) and 0.498 (13) Å.In the crystal, N-H⋯O inter-actions generate R(2) (2)(8) graph-set motifs and C-H⋯O inter-actions generate R(2) (2)(10) and R(2) (2)(14) graph-set motifs.C-H⋯π inter-actions also occur.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title compound, C(20)H(22)N(2)O(3), crystallizes with two independent mol-ecules in the asymmetric unit. In both mol-ecules, the diazepane rings adopt chair conformations. The mean planes of the diazepane rings in the two molecules form dihedral angles of 71.6 (4)/40.3 (5) and 75.9 (5)/58.6 (7)° with the neighbouring benzene rings. The carbonyl-group O atoms deviate significantly from the diazepane rings, by 0.685 (14) and 0.498 (13) Å. The eth-oxy-carbonyl groups show conformational difference between two mol-ecules, as reflected in the orientation of the carbonyl O atoms and the C-C-O-C torsion angle of -179.0 (2)° in one mol-ecule and 73.2 (2)° in the other. In one molecule there is a short N-H⋯O contact that generates an S(5) ring motif. In the crystal, N-H⋯O inter-actions generate R(2) (2)(8) graph-set motifs and C-H⋯O inter-actions generate R(2) (2)(10) and R(2) (2)(14) graph-set motifs. C-H⋯π inter-actions also occur.

No MeSH data available.


Related in: MedlinePlus