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Crystal structures of pyrazolo[1,5-a]pyrimidine derivatives solved from powder diffraction data
Veröffentlicht/Copyright:
28. Juli 2010
Abstract
The molecular crystal structures of 3-amino-4-nitro-6-mefhyl-8-oxopyrazolo[1,5-a]pyrimidine (C7H7N5O3; space group P21/n; Z = 4; a = 18.920(4) Å, b = 8.441(2) Å, c = 5.210(1) Å, β = 90.82(2)°) and 3-amino-4-nitro-6,8-dimethylpyrazolo[1,5-a]pyrimidine (C8H9N5O2; space group P[unk]; Z = 2; a = 7.643(2) Å, b = 9.142(3) Å, c = 7.492(1) Å, α = 111.12(2)°, β = 100.66(2)°, γ = 102.58(2)°) have been determined from X-ray and neutron powder diffraction data using grid search procedure. The hydrogen-bonded molecules of the former compound form chains directed along the diagonals of the bc plane, while the latter crystal structure adopts dimeric arrangement.
Published Online: 2010-7-28
Published in Print: 1998-9-1
© 2015 Oldenbourg Wissenschaftsverlag GmbH, Rosenheimer Str. 145, 81671 München
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Artikel in diesem Heft
- On an intrinsic mechanism of surface defect formation producing polar, multidomain real-structures in molecular crystals
- Direct methods in polymer fiber diffraction – the crystal structure of poly(ethylene terephthalate)
- Lattice potentials as an instrument in crystal chemistry. IV. Surface Madelung Factors1
- The crystal structure of Tutton's salt type K2[Co(H2O)6](SO4)2. A combined X-ray and neutron study
- Crystal structure refinements of InxFe3−xO4(x ≤ 0.3) spinels by the Rietveld method
- Crystal structures of aminophenalenones with relation to their spectral properties
- Preparation and X-ray structure of bis(1-methyl-3-ethylbenzimidazolidine-2-ylium) tetrafluoroborate
- Crystal structures of pyrazolo[1,5-a]pyrimidine derivatives solved from powder diffraction data
- The crystal structure and optics of trans-bis((4-(phenylethynyl)phenyl)ethynyl)bis(tributylphosphine)-platinum(II): trans-[(nBu3P)2Pt(C≡CC6H4C≡CC6H5)2]
- The crystal and molecular structures of A(S2COCH2CH2CMe3)3, A = As(III), Sb(III) and Bi(III)
- Structure and isomerization in N,N-dimethyl-l,3-propanediamine nickel(II) thiocyanate
- Books Received
