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N-(p-methoxyphenyl)-N-prop-2-ynyl-urea: a crystal structure with the rare Z′=5, and statistical data on Z′ values |
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| Authors: | S Kumar K Subramanian R Srinivasan K Rajagopalan A M M Schreurs J Kroon T Steiner |
| Institution: | a Department of Physics, Anna University, Madras 600 025, India b Department of Organic Chemistry, University of Madras, Madras 600 025, India c Bijvoet Center for Biomolecular Research, Department of Crystal and Structural Chemistry, Utrecht University, Padualaan 8, 3584 CH Utrecht, The Netherlands d Institut für Kristallographie, Freie Universität Berlin, Takustraße 6, D-14195 Berlin, Germany |
| Abstract: | The crystal structure of N-(p-methoxyphenyl)-N-prop-2-ynyl-urea contains five symmetry-independent molecules (Z′=5), which is a high and rarely occurring value. The five molecules have similar but not identical conformations, and form similar but not identical intermolecular interactions. The terminal alkyne groups of the five molecules are oriented differently, and form different hydrogen bond interactions (C–H O and C–Hπ). This is an example of how simple molecules can form a highly complicated solid state structure. |
| Keywords: | Crystal structure Z′-values Hydrogen bonding C–H donor Crystal statistics |
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