Pyrimidine-2,4-diamine acetone monosolvate

Draguta Sergiu; Sandhu Bhupinder; Khrustalev Victor N.; Fonari Marina; Timofeeva Tatiana

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DRAGUTA, Sergiu, SANDHU, Bhupinder, KHRUSTALEV, Victor N., FONARI, Marina, TIMOFEEVA, Tatiana. Pyrimidine-2,4-diamine acetone monosolvate. In: Acta Crystallographica Section E: Structure Reports Online, 2013, vol. 69, pp. 1-6. ISSN 1600-5368. DOI: https://doi.org/10.1107/S1600536813001025

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Acta Crystallographica Section E: Structure Reports Online

Volumul 69 / 2013 / ISSN 1600-5368

Pyrimidine-2,4-diamine acetone monosolvate

DOI:https://doi.org/10.1107/S1600536813001025

Pag. 1-6

Draguta Sergiu¹, Sandhu Bhupinder², Khrustalev Victor N.³, Fonari Marina⁴, Timofeeva Tatiana²

¹ Institute of the Electronic Engineering and Nanotechnologies "D. Ghitu" of the Academy of Sciences of Moldova,
² New Mexico Highlands University, Las Vegas,
³ A.N.Nesmeyanov Institute of Organoelement Compounds of RAS,
⁴ Institute of Applied Physics, Academy of Sciences of Moldova

Disponibil în IBN: 22 februarie 2024

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In the title compound, C₄H6N4·C3H6O, the pyrimidine-2,4-diamine molecule is nearly planar (r.m.s. deviation = 0.005 Å), with the endocyclic angles covering the range 114.36 (10)-126.31 (10)°. In the crystal, N - H⋯N and N - H⋯O hydrogen bonds link the molecules into ribbons along [101], and weak C - H⋯π interactions consolidate further the crystal packing.

Cuvinte-cheie
data-to-parameter ratio = 17.1, mean σ(C-C) = 0.002 Å, R factor = 0.048, single-crystal X-ray study, T = 296 K, wR factor = 0.139