4-Nitrophenyl N-(2-isopropylthiazol-4-ylmethyl)-N-methylcarbamate

In the title compound, C15H17N3O4S, the benzene and thiazole rings are oriented at a dihedral angle of 74.10 (3)°. In the crystal structure, intermolecular C—H⋯O hydrogen bonds are found.

In the title compound, C 15 H 17 N 3 O 4 S, the benzene and thiazole rings are oriented at a dihedral angle of 74.10 (3) . In the crystal structure, intermolecular C-HÁ Á ÁO hydrogen bonds are found.

4-Nitrophenyl N-(2-isopropylthiazol-4-ylmethyl)-N-methylcarbamate
Hao Xu, Peng Wang and Wen-Long Huang S1. Comment The title compound, C 15 H 17 N 3 O 4 S, is one of aromatic carbamates which are an important class of esters compounds and have widespread applications from pharmaceuticals (Ishikawa et al., 1998) to agronomy (Riden & Hopkins, 1961). As part of our studies in this area, we report herein the synthesis and crystal structure of the title compound, (I).
In the molecule of (I) (Fig. 1), the ligand bond lengths and angles are within normal ranges (Allen et al., 1987). Rings A (C4/N1/C5/C6/S) and B (C10-C15) are almost planar and they are oriented at a dihedral angle of 74.1°.
In the crystal structure, intermolecular C-H···O hydrogen bonds (Table 1) link the molecules (Fig.2), in which they seem to be effective in the stabilization of the structure.
The residue was purified by silica gel chromatography with 100% CHCl 3 to provide the title compound, (I) (yield: 6.5 g, 87%). Crystals of (I) suitable for x-ray analysis were obtained by slow evaporation of an ethanol solution.  The molecular structure of the title molecule, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 30% probability level.   where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max < 0.001 Δρ max = 0.28 e Å −3 Δρ min = −0.39 e Å −3 Special details Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s 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 > σ(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.