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Crystal structure of 2,2'-oxybis(4-methylquinoline).

Tilborg A - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The title compound, C20H16N2O, (I), has been unwittingly obtained from the slow evaporation of a saturated solution of commercial benserazide hydro-chloride [benserazide, (II), being one of the principal therapeutic compounds used for the management of Parkinson's disease, mostly used in combination with levodopa].The mol-ecule of (I) is composed of two planar 4-methyl-quinoline aromatic moieties [maximum deviations of 0.0104 (18) and 0.016 (2) Å], almost perpendicular to each other [dihedral angle = 89.5 (2)°], bridged by an O atom.The supra-molecular organization consists of a π-bonded chain, resulting from the stacking of mol-ecules related by inversion centres located along direction [111].

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Affiliation: Department of Chemistry, University of Namur, 61, Rue de Bruxelles, B-5000 Namur, Belgium.

ABSTRACT
The title compound, C20H16N2O, (I), has been unwittingly obtained from the slow evaporation of a saturated solution of commercial benserazide hydro-chloride [benserazide, (II), being one of the principal therapeutic compounds used for the management of Parkinson's disease, mostly used in combination with levodopa]. The mol-ecule of (I) is composed of two planar 4-methyl-quinoline aromatic moieties [maximum deviations of 0.0104 (18) and 0.016 (2) Å], almost perpendicular to each other [dihedral angle = 89.5 (2)°], bridged by an O atom. The supra-molecular organization consists of a π-bonded chain, resulting from the stacking of mol-ecules related by inversion centres located along direction [111].

No MeSH data available.


Related in: MedlinePlus

Packing diagram showing one of the π–π inter­actions, stacked around (½, ½, ½).
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fig2: Packing diagram showing one of the π–π inter­actions, stacked around (½, ½, ½).

Mentions: The crystal packing organization is essentially the result of two different types of π-stacking inter­actions involving inversion-related mol­ecules. Table 1 ▸ gives a survey of these π–π stacking inter­actions, in one case around (½, ½, ½) (Fig. 2 ▸) and in the other case around (0, 0, 0);(1, 1, 1) (Fig. 3 ▸). The overall effect of these inter­actions is the formation of chains parallel to [111] (Fig. 4 ▸). As expected from the lack of efficient hydrogen-bond donors, no significant hydrogen bonds linking the chains are present in the structure, as a result of which their mutual inter­action is rather weak.


Crystal structure of 2,2'-oxybis(4-methylquinoline).

Tilborg A - Acta Crystallogr E Crystallogr Commun (2015)

Packing diagram showing one of the π–π inter­actions, stacked around (½, ½, ½).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4384558&req=5

fig2: Packing diagram showing one of the π–π inter­actions, stacked around (½, ½, ½).
Mentions: The crystal packing organization is essentially the result of two different types of π-stacking inter­actions involving inversion-related mol­ecules. Table 1 ▸ gives a survey of these π–π stacking inter­actions, in one case around (½, ½, ½) (Fig. 2 ▸) and in the other case around (0, 0, 0);(1, 1, 1) (Fig. 3 ▸). The overall effect of these inter­actions is the formation of chains parallel to [111] (Fig. 4 ▸). As expected from the lack of efficient hydrogen-bond donors, no significant hydrogen bonds linking the chains are present in the structure, as a result of which their mutual inter­action is rather weak.

Bottom Line: The title compound, C20H16N2O, (I), has been unwittingly obtained from the slow evaporation of a saturated solution of commercial benserazide hydro-chloride [benserazide, (II), being one of the principal therapeutic compounds used for the management of Parkinson's disease, mostly used in combination with levodopa].The mol-ecule of (I) is composed of two planar 4-methyl-quinoline aromatic moieties [maximum deviations of 0.0104 (18) and 0.016 (2) Å], almost perpendicular to each other [dihedral angle = 89.5 (2)°], bridged by an O atom.The supra-molecular organization consists of a π-bonded chain, resulting from the stacking of mol-ecules related by inversion centres located along direction [111].

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, University of Namur, 61, Rue de Bruxelles, B-5000 Namur, Belgium.

ABSTRACT
The title compound, C20H16N2O, (I), has been unwittingly obtained from the slow evaporation of a saturated solution of commercial benserazide hydro-chloride [benserazide, (II), being one of the principal therapeutic compounds used for the management of Parkinson's disease, mostly used in combination with levodopa]. The mol-ecule of (I) is composed of two planar 4-methyl-quinoline aromatic moieties [maximum deviations of 0.0104 (18) and 0.016 (2) Å], almost perpendicular to each other [dihedral angle = 89.5 (2)°], bridged by an O atom. The supra-molecular organization consists of a π-bonded chain, resulting from the stacking of mol-ecules related by inversion centres located along direction [111].

No MeSH data available.


Related in: MedlinePlus