Crystal structure of O-methyl carbamate at 295 K

An X-ray diffraction (XRD) analysis of O-methyl carbamate crystals (I) has been carried out at 295 K: space group P (1) over bar; a = 5.144(1), b = 5.530(1), c = 7.344(2) Angstrom, alpha = 105.79(2), beta = 103.33(3), gamma = 100.30(3)degrees, Z = 2; 947 unique reflections collected, R = 0.082. In contrast to the initial investigation of these crystals at 123 K, this study established that at 295 K the Me hydrogen atoms of molecule I are disordered over two orientations with occupancies 0.60(5) and 0.40(5).