N-[(R)-(6-Bromo-2-methoxyquinolin-3-yl)(phenyl)methyl]-N-[(S)-1-(4-methoxyphenyl)ethyl]-2-(piperazin-1-yl)acetamide

In the title compound, C32H35BrN4O3, the piperazine ring exists in a chair conformation. The quinoline ring system is oriented at dihedral angles of 82.70 (17) and 19.54 (17)° to the phenyl and methoxyphenyl rings, respectively. Weak intermolecular C—H⋯π interactions are present in the crystal structure.

In the title compound, C 32 H 35 BrN 4 O 3 , the piperazine ring exists in a chair conformation. The quinoline ring system is oriented at dihedral angles of 82.70 (17) and 19.54 (17) to the phenyl and methoxyphenyl rings, respectively. Weak intermolecular C-HÁ Á Á interactions are present in the crystal structure.   Table 1 Hydrogen-bond geometry (Å , ).

Related literature
Cg is the centroid of the C12-C17 phenyl ring.
Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL. same time, the title compound is also a promising drug against tuberculosis. We synthesized this compound in order to get some more efficient antituberculosis drugs. To characterize our product, its single crystal structure was determined.
The structure of the title compound is shown in Fig. 1 and geometrical parameters are given in the archived CIF. In the title molecule, the bond lengths and angles are generally within normal ranges. The dihedral angles of aromatic rings are nearly in accordance with related structure TMC-207 (Petit et al., 2007), which has been completed Phase II clinical, and will be marketed in 2012 as a kind of antituberculostatics drug.The dihedral angle between quinoline and phenyl ring  was stirred for 4 h at 50°C.The reaction mixture was diluted with water (100 ml). The resulting precipitate was collected by filteration and purified on silica gel column (50% ethyl acetateu in petroleum ether) to give white powder (85.2% yield). A colorless crystalline solid was formed on slow evaporation of acetonitrile/methanol = 1:2 solution.

Refinement
All H atoms were geometrically positioned (C-H 0.93-0.98 Å and N-H = 0.86 Å) and treated as riding, with U iso (H) = 1.5U eq (C) for methyl H atoms and 1.2U eq (C,N) for the others. Fig. 1. The molecular structure of the title compound, viewed along the a axis, showing 30%probability displacement ellipsoids and the atom-numbering scheme.

Special details
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.
Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > 2sigma(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )