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5-Bromo-17-nitro-26,28-prop-2-en-oxy-25,27-dipropoxycalix[4]arene.

Hippius C, Würthner F, Bolte M - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: As a result, the nitro group and bromine residue are mutually disordered with equal occupancies.The prop-oxy-substituted aromatic rings are close to parallel to each other [dihedral angle = 21.24 (1)°], whereas the propen-oxy-substituted rings enclose a dihedral angle of 70.44 (1)°.The dihedral angles between the methyl-ene C atoms and the aromatic rings shows that the propen-oxy substituted rings are bent away from the calixarene cavity [dihedral angle between the planes = 35.22 (8)°], whereas the prop-oxy-substituted rings are almost perpendicular [79.38 (10)°] to the plane of the methyl-ene C atoms.

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ABSTRACT
Mol-ecules of the title compound, C(40)H(42)BrNO(6), are located on a crystallographic twofold rotation axis. As a result, the nitro group and bromine residue are mutually disordered with equal occupancies. The prop-oxy-substituted aromatic rings are close to parallel to each other [dihedral angle = 21.24 (1)°], whereas the propen-oxy-substituted rings enclose a dihedral angle of 70.44 (1)°. The dihedral angles between the methyl-ene C atoms and the aromatic rings shows that the propen-oxy substituted rings are bent away from the calixarene cavity [dihedral angle between the planes = 35.22 (8)°], whereas the prop-oxy-substituted rings are almost perpendicular [79.38 (10)°] to the plane of the methyl-ene C atoms.

No MeSH data available.


Perspective view of the title compound with the atom numbering; displacement ellipsoids are at the 50% probability level. Only the major occupied site of the disordered moieties is shown. [Symmetry operator for generating equivalent atoms: 1 - x, y, 1/2 - z. ]
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Fap1: Perspective view of the title compound with the atom numbering; displacement ellipsoids are at the 50% probability level. Only the major occupied site of the disordered moieties is shown. [Symmetry operator for generating equivalent atoms: 1 - x, y, 1/2 - z. ]


5-Bromo-17-nitro-26,28-prop-2-en-oxy-25,27-dipropoxycalix[4]arene.

Hippius C, Würthner F, Bolte M - Acta Crystallogr Sect E Struct Rep Online (2009)

Perspective view of the title compound with the atom numbering; displacement ellipsoids are at the 50% probability level. Only the major occupied site of the disordered moieties is shown. [Symmetry operator for generating equivalent atoms: 1 - x, y, 1/2 - z. ]
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2968623&req=5

Fap1: Perspective view of the title compound with the atom numbering; displacement ellipsoids are at the 50% probability level. Only the major occupied site of the disordered moieties is shown. [Symmetry operator for generating equivalent atoms: 1 - x, y, 1/2 - z. ]
Bottom Line: As a result, the nitro group and bromine residue are mutually disordered with equal occupancies.The prop-oxy-substituted aromatic rings are close to parallel to each other [dihedral angle = 21.24 (1)°], whereas the propen-oxy-substituted rings enclose a dihedral angle of 70.44 (1)°.The dihedral angles between the methyl-ene C atoms and the aromatic rings shows that the propen-oxy substituted rings are bent away from the calixarene cavity [dihedral angle between the planes = 35.22 (8)°], whereas the prop-oxy-substituted rings are almost perpendicular [79.38 (10)°] to the plane of the methyl-ene C atoms.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
Mol-ecules of the title compound, C(40)H(42)BrNO(6), are located on a crystallographic twofold rotation axis. As a result, the nitro group and bromine residue are mutually disordered with equal occupancies. The prop-oxy-substituted aromatic rings are close to parallel to each other [dihedral angle = 21.24 (1)°], whereas the propen-oxy-substituted rings enclose a dihedral angle of 70.44 (1)°. The dihedral angles between the methyl-ene C atoms and the aromatic rings shows that the propen-oxy substituted rings are bent away from the calixarene cavity [dihedral angle between the planes = 35.22 (8)°], whereas the prop-oxy-substituted rings are almost perpendicular [79.38 (10)°] to the plane of the methyl-ene C atoms.

No MeSH data available.