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Author Martinez-Ripoll, M. ♦ Lorenz, H. P.
Source CiteSeerX
Content type Text
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Subject Domain (in DDC) Computer science, information & general works ♦ Data processing & computer science
Subject Keyword Syn-4-pyrimidineearboxaldehyde Oxime ♦ Diazine Oxime ♦ Molecular Structure ♦ Structural Study ♦ Crystal Structure ♦ Syn-4-pyrimidinecarboxaldehyde Oxime Crystallizes ♦ Experimental Nd Cal-culated Density ♦ Difference Map ♦ Infinite Chain ♦ Generated Phase ♦ Final Conventional Index ♦ Single Hydrogen Bond ♦ Non-hydrogen Atom ♦ Observed Reflexion ♦ Direct Method ♦ Hydrogen Atom ♦ Full-matrix Least-squares Refinement ♦ Space Group Pccn
Abstract syn-4-Pyrimidinecarboxaldehyde oxime crystallizes in the space group Pccn with 8 molecules in a cell of dimensions a = 8.500+0.002, b = 12.101 _+0.002 and c = 11.732_+0.010/~. The experimental nd cal-culated densities are 1.34 and 1.35 g cm-a, respectively. The crystal structure has been determined by direct methods. An E map based on 327 generated phases howed all the non-hydrogen atoms. The hydrogen atoms were located from a difference map. A full-matrix least-squares refinement based on 787 observed reflexions gave a final conventional R index of 0.048. The molecules are closely planar and are connected by single hydrogen bonds to form infinite chains parallel to the (! 10) plane.
Educational Role Student ♦ Teacher
Age Range above 22 year
Educational Use Research
Education Level UG and PG ♦ Career/Technical Study
Publisher Date 1973-01-01