Acetamide Jeffrey G A, Ruble J R, McMullan R K, DeFrees D J, Binkley J S, Pople J A Acta Crystallographica B36 (1980) 2292-2299 Neutron diffraction at 23 K and ab initio molecular-orbital studies of molecular structure of acetamide Note: T = 23 K Locality: synthetic _database_code_amcsd 0019020 CELL PARAMETERS: 11.5130 11.5130 12.8830 90.000 90.000 120.000 SPACE GROUP: R3c X-RAY WAVELENGTH: 1.541838 Cell Volume: 1478.852 Density (g/cm3): 1.194 MAX. ABS. INTENSITY / VOLUME**2: 7.049363579 RIR: 1.923 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.39 59.13 5.7565 1 1 0 6 16.38 2.26 5.4106 0 1 2 3 22.55 5.23 3.9425 2 0 2 3 24.61 3.57 3.6169 2 1 1 6 25.88 100.00 3.4421 1 1 3 6 26.82 7.42 3.3235 3 0 0 3 27.42 3.89 3.2527 1 2 2 6 29.14 11.29 3.0648 1 0 4 3 31.07 18.23 2.8782 2 2 0 6 33.11 2.60 2.7053 0 2 4 3 33.13 1.40 2.7037 1 3 1 6 35.32 3.72 2.5411 3 1 2 6 36.71 8.12 2.4484 2 1 4 6 38.74 8.12 2.3247 0 4 2 3 40.03 1.29 2.2522 3 2 1 6 41.50 6.24 2.1758 4 1 0 6 42.50 4.41 2.1270 1 2 5 6 46.04 4.81 1.9712 4 0 4 3 46.81 1.15 1.9409 1 4 3 6 46.81 1.16 1.9409 4 1 3 6 50.46 1.03 1.8085 4 2 2 6 52.21 5.52 1.7519 3 3 3 6 53.08 1.02 1.7253 1 5 2 6 53.57 2.57 1.7106 2 3 5 6 54.09 1.67 1.6954 0 5 4 3 55.57 6.94 1.6538 2 1 7 6 57.74 2.45 1.5966 5 2 0 6 65.05 1.57 1.4339 3 2 7 6 72.13 1.03 1.3095 6 1 5 6 75.28 1.01 1.2623 1 7 3 6 75.28 1.01 1.2623 7 1 3 6 82.24 1.16 1.1722 1 6 7 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.