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Crystal structure of (4-chloro-phen-yl)[2-(10-hy-droxy-phenanthren-9-yl)phenanthro[9,10-b]furan-3-yl]methanone.

Sajitha LU, Sithambaresan M, Jacob JP, Kurup MR - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: In the title compound, C37H21ClO3, the dihedral angle between the two phenanthrene moieties is 57.79 (5)°.The furan and one of the phenanthrene groups are fused in an almost coplanar arrangement [dihedral angle = 5.14 (8)°] and the furan unit makes dihedral angles of 70.27 (11) and 57.58 (8)° with the planes of the phenyl and the second phenanthrene group, respectively.A non-classical C-H⋯Cl inter-action [3.564 (2) Å] and three C-H⋯π inter-actions, with C⋯π distances of 3.709 (3), 3.745 (2) and 3.628 (3) Å, connect the mol-ecules, forming a three-dimensional supra-molecular architecture in the solid state.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Applied Chemistry, Cochin University of Science and Technology, Kochi 682 022, India.

ABSTRACT
In the title compound, C37H21ClO3, the dihedral angle between the two phenanthrene moieties is 57.79 (5)°. The furan and one of the phenanthrene groups are fused in an almost coplanar arrangement [dihedral angle = 5.14 (8)°] and the furan unit makes dihedral angles of 70.27 (11) and 57.58 (8)° with the planes of the phenyl and the second phenanthrene group, respectively. In the crystal, neighbouring mol-ecules are connected via two inter-molecular hydrogen-bonding inter-actions (O-H⋯O and C-H⋯O) towards the carbonyl O atom with donor-acceptor distances of 2.824 (2) and 3.277 (3) Å, creating an inversion dimer. A non-classical C-H⋯Cl inter-action [3.564 (2) Å] and three C-H⋯π inter-actions, with C⋯π distances of 3.709 (3), 3.745 (2) and 3.628 (3) Å, connect the mol-ecules, forming a three-dimensional supra-molecular architecture in the solid state.

No MeSH data available.


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Hydrogen-bonding inter­actions found in the title compound (see Table 1 ▶ for details).
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fig2: Hydrogen-bonding inter­actions found in the title compound (see Table 1 ▶ for details).

Mentions: There are several inter­molecular hydrogen-bonding inter­actions present in the mol­ecular crystal. Carbonyl atom O1 acts as an acceptor for three hydrogen bonds; the intra­molecular C—H⋯O hydrogen bond with the H atom attached to C11, see above, and two inter­molecular hydrogen bonds involving atoms O3 and C35 of a neighbouring mol­ecule. The latter two inter­molecular hydrogen-bonding inter­actions lead to formation of an inversion dimer. Another non-classical hydrogen-bonding inter­action with the Cl atom of a neighbouring molecule as the acceptor connects these dimers, forming zigzag chains propagating in the b-axis direction (Fig. 2 ▶). Three C—H⋯π inter­actions (Fig. 3 ▶) are found in the crystal. The first two C—H⋯π inter­actions are between the H atoms attached to C13 and C17 and the outer two aromatic rings of one of the phenanthrene moieties of an adjacent mol­ecule with C⋯π distances of 3.709 (3) and 3.745 (2) Å. The third C—H⋯π inter­action occurs between atom C32 and the central aromatic ring of the other phenanthrene moiety (see Table 1 ▶ for numerical values and symmetry operators of O—H⋯O, C—H⋯O and C—H⋯π inter­actions). Fig. 4 ▶ shows the packing diagram of the title compound along a axis.


Crystal structure of (4-chloro-phen-yl)[2-(10-hy-droxy-phenanthren-9-yl)phenanthro[9,10-b]furan-3-yl]methanone.

Sajitha LU, Sithambaresan M, Jacob JP, Kurup MR - Acta Crystallogr Sect E Struct Rep Online (2014)

Hydrogen-bonding inter­actions found in the title compound (see Table 1 ▶ for details).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257253&req=5

fig2: Hydrogen-bonding inter­actions found in the title compound (see Table 1 ▶ for details).
Mentions: There are several inter­molecular hydrogen-bonding inter­actions present in the mol­ecular crystal. Carbonyl atom O1 acts as an acceptor for three hydrogen bonds; the intra­molecular C—H⋯O hydrogen bond with the H atom attached to C11, see above, and two inter­molecular hydrogen bonds involving atoms O3 and C35 of a neighbouring mol­ecule. The latter two inter­molecular hydrogen-bonding inter­actions lead to formation of an inversion dimer. Another non-classical hydrogen-bonding inter­action with the Cl atom of a neighbouring molecule as the acceptor connects these dimers, forming zigzag chains propagating in the b-axis direction (Fig. 2 ▶). Three C—H⋯π inter­actions (Fig. 3 ▶) are found in the crystal. The first two C—H⋯π inter­actions are between the H atoms attached to C13 and C17 and the outer two aromatic rings of one of the phenanthrene moieties of an adjacent mol­ecule with C⋯π distances of 3.709 (3) and 3.745 (2) Å. The third C—H⋯π inter­action occurs between atom C32 and the central aromatic ring of the other phenanthrene moiety (see Table 1 ▶ for numerical values and symmetry operators of O—H⋯O, C—H⋯O and C—H⋯π inter­actions). Fig. 4 ▶ shows the packing diagram of the title compound along a axis.

Bottom Line: In the title compound, C37H21ClO3, the dihedral angle between the two phenanthrene moieties is 57.79 (5)°.The furan and one of the phenanthrene groups are fused in an almost coplanar arrangement [dihedral angle = 5.14 (8)°] and the furan unit makes dihedral angles of 70.27 (11) and 57.58 (8)° with the planes of the phenyl and the second phenanthrene group, respectively.A non-classical C-H⋯Cl inter-action [3.564 (2) Å] and three C-H⋯π inter-actions, with C⋯π distances of 3.709 (3), 3.745 (2) and 3.628 (3) Å, connect the mol-ecules, forming a three-dimensional supra-molecular architecture in the solid state.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Applied Chemistry, Cochin University of Science and Technology, Kochi 682 022, India.

ABSTRACT
In the title compound, C37H21ClO3, the dihedral angle between the two phenanthrene moieties is 57.79 (5)°. The furan and one of the phenanthrene groups are fused in an almost coplanar arrangement [dihedral angle = 5.14 (8)°] and the furan unit makes dihedral angles of 70.27 (11) and 57.58 (8)° with the planes of the phenyl and the second phenanthrene group, respectively. In the crystal, neighbouring mol-ecules are connected via two inter-molecular hydrogen-bonding inter-actions (O-H⋯O and C-H⋯O) towards the carbonyl O atom with donor-acceptor distances of 2.824 (2) and 3.277 (3) Å, creating an inversion dimer. A non-classical C-H⋯Cl inter-action [3.564 (2) Å] and three C-H⋯π inter-actions, with C⋯π distances of 3.709 (3), 3.745 (2) and 3.628 (3) Å, connect the mol-ecules, forming a three-dimensional supra-molecular architecture in the solid state.

No MeSH data available.


Related in: MedlinePlus