Low temperature crystal structure of N-Acetyl-L-Glutamic acid: comparison with the DFT calculated structure

N-acetyl-L-glutamic acid, crystallizes in the orthorhombic space group P2(1)2(1)2(1) with unit cell parameters a = 4.747(3), b = 12.852(7), c = 13.906(7) Å, V = 848.5(8) Å3, Z = 4, density (calculated) = 1.481 mg/m3, linear absorption coefficient 0.127 mm−1. The crystal structure determination was carried out with MoKalpha X-ray data measured with liquid nitrogen cooling at 100(2) K temperature. In the final refinement cycle the data/restraints/parameter ratios were 1,691/0/131; goodness-of-fit on F(2) = 1.122. Final R indices for [I > 2sigma(I)] were R1 = 0.0430, wR2 = 0.0878 and R indices (all data) R1 = 0.0473, wR2 = 0.0894. The largest electron density difference peak and hole were 0.207 and −0.154 eÅ(−3). Details of the molecular geometry are discussed and compared with a model DFT structure calculated using Gaussian 98.

Drawing the net: internet identification, internet use, and the image of internet users

Theory and research suggest that Internet identification may account for some of the gender divide in Internet use. Internet identification is a type of domain identification, and is inherently bound with images of those who use the Internet, a domain traditionally conceived as masculine. Combining the “draw an Internet user” test with an Internet identification scale, this study tests two hypotheses: participants drawing gender-concordant images will (i) identify with and (ii) use the Internet more than those drawing gender-discordant images. Participants were 371 students (121 males, 250 females) from three universities in the United Kingdom and Australia. The need to challenge masculinized images of the Internet is discussed.