Molecular structure of 2-methoxy-4-pyrrolidinyl-6-trinitromethyl-1,3,5-triazine |
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| Authors: | V. V. Bakharev A. A. Gidaspov I. A. Litvinov E. V. Mironova |
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| Affiliation: | (1) Samara State Technical University, Russia;(2) A. E. Arbuzov Institute of Organic and Physical Chemistry, Kazan Scientific Center, Russian Academy of Sciences, Kazan |
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| Abstract: | An X-ray diffraction study of 2-methoxy-4-pyrrolidinyl-6-trinitromethyl-1,3,5-triazine was carried out. The crystals are triclinic; C9H11N7O7; M = 329.25; a = 8.536(1) Å, b = 9.378(2) Å, c = 9.7401(8) Å; α = 79.13(1)°, β = 73.974(8)°; γ = 72.76(1)°; V = 710.8(2) Å3, d c = 1.54 g/cm3, Z = 2, space group P1¯. The molecule on the whole is planar, except the pyrrolidine ring, which has a twist conformation. No significant π-π interactions and hydrogen bonds of C-H?N or C-H?O type were found in the crystal, and the molecule packing is stabilized only due to van der Waals interactions. |
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| Keywords: | organic chemistry crystal structure 2-methoxy-4-pyrrolidinyl-6-trinitromethyl-1,3,5-triazine |
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