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Crystal structure of 2-[4-(4-chloro-phen-yl)-1-(4-meth-oxy-phen-yl)-2-oxoazetidin-3-yl]benzo[de]iso-quinoline-1,3-dione dimethyl sulfoxide monosolvate.

Çelik Í, Akkurt M, Jarrahpour A, Rad JA, Çelik Ö - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: In the title solvated compound, C28H19N2O4·C2H6OS, the central β-lactam ring is almost planar (r.m.s. deviation = 0.002 Å).It makes dihedral angles of 1.92 (11), 83.23 (12) and 74.90 (10)° with the meth-oxy- and chloro-phenyl rings and the ring plane of the 1H-benzo[de]iso-quinoline-1,3(2H)-dione group [maximum deviation = 0.089 (1)], respectively.In the crystal, the components are linked by C-H⋯O hydrogen bonds, C-H⋯π inter-actions and aromatic π-π stacking inter-actions [centroid-to-centroid distances = 3.6166 (10) and 3.7159 (10) Å], resulting in a three-dimensional network, The dimethyl sulfoxide solvent mol-ecule is disordered over two sets of sites in a 0.847 (2):0.153 (2) ratio.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Physics, Faculty of Arts and Sciences, Cumhuriyet University, 06532 Sivas, Turkey.

ABSTRACT
In the title solvated compound, C28H19N2O4·C2H6OS, the central β-lactam ring is almost planar (r.m.s. deviation = 0.002 Å). It makes dihedral angles of 1.92 (11), 83.23 (12) and 74.90 (10)° with the meth-oxy- and chloro-phenyl rings and the ring plane of the 1H-benzo[de]iso-quinoline-1,3(2H)-dione group [maximum deviation = 0.089 (1)], respectively. An intra-molecular C-H⋯O hydrogen bond closes an S(6) ring and helps to establish the near coplanarity of the β-lactam and meth-oxy-benzene rings. In the crystal, the components are linked by C-H⋯O hydrogen bonds, C-H⋯π inter-actions and aromatic π-π stacking inter-actions [centroid-to-centroid distances = 3.6166 (10) and 3.7159 (10) Å], resulting in a three-dimensional network, The dimethyl sulfoxide solvent mol-ecule is disordered over two sets of sites in a 0.847 (2):0.153 (2) ratio.

No MeSH data available.


Related in: MedlinePlus

The hydrogen bonding and molecular packing of the title compound along a axis. Only the major component of the disordered solvent molecule is displayed.
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Fap2: The hydrogen bonding and molecular packing of the title compound along a axis. Only the major component of the disordered solvent molecule is displayed.


Crystal structure of 2-[4-(4-chloro-phen-yl)-1-(4-meth-oxy-phen-yl)-2-oxoazetidin-3-yl]benzo[de]iso-quinoline-1,3-dione dimethyl sulfoxide monosolvate.

Çelik Í, Akkurt M, Jarrahpour A, Rad JA, Çelik Ö - Acta Crystallogr E Crystallogr Commun (2015)

The hydrogen bonding and molecular packing of the title compound along a axis. Only the major component of the disordered solvent molecule is displayed.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4384601&req=5

Fap2: The hydrogen bonding and molecular packing of the title compound along a axis. Only the major component of the disordered solvent molecule is displayed.
Bottom Line: In the title solvated compound, C28H19N2O4·C2H6OS, the central β-lactam ring is almost planar (r.m.s. deviation = 0.002 Å).It makes dihedral angles of 1.92 (11), 83.23 (12) and 74.90 (10)° with the meth-oxy- and chloro-phenyl rings and the ring plane of the 1H-benzo[de]iso-quinoline-1,3(2H)-dione group [maximum deviation = 0.089 (1)], respectively.In the crystal, the components are linked by C-H⋯O hydrogen bonds, C-H⋯π inter-actions and aromatic π-π stacking inter-actions [centroid-to-centroid distances = 3.6166 (10) and 3.7159 (10) Å], resulting in a three-dimensional network, The dimethyl sulfoxide solvent mol-ecule is disordered over two sets of sites in a 0.847 (2):0.153 (2) ratio.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Physics, Faculty of Arts and Sciences, Cumhuriyet University, 06532 Sivas, Turkey.

ABSTRACT
In the title solvated compound, C28H19N2O4·C2H6OS, the central β-lactam ring is almost planar (r.m.s. deviation = 0.002 Å). It makes dihedral angles of 1.92 (11), 83.23 (12) and 74.90 (10)° with the meth-oxy- and chloro-phenyl rings and the ring plane of the 1H-benzo[de]iso-quinoline-1,3(2H)-dione group [maximum deviation = 0.089 (1)], respectively. An intra-molecular C-H⋯O hydrogen bond closes an S(6) ring and helps to establish the near coplanarity of the β-lactam and meth-oxy-benzene rings. In the crystal, the components are linked by C-H⋯O hydrogen bonds, C-H⋯π inter-actions and aromatic π-π stacking inter-actions [centroid-to-centroid distances = 3.6166 (10) and 3.7159 (10) Å], resulting in a three-dimensional network, The dimethyl sulfoxide solvent mol-ecule is disordered over two sets of sites in a 0.847 (2):0.153 (2) ratio.

No MeSH data available.


Related in: MedlinePlus