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1.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 2): o238, 2009 Jan 08.
Artigo em Inglês | MEDLINE | ID: mdl-21581855

RESUMO

The asymmetric unit of the title compound, C(16)H(20)N(4), contains two half-mol-ecules, which are completed by crystallographic inversion symmetry. The pyridazine rings are conjugated and the cyclo-hexane rings adopt envelope conformations.

2.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 3): o489, 2009 Feb 06.
Artigo em Inglês | MEDLINE | ID: mdl-21582156

RESUMO

In the mol-ecule of the title compound, C(21)H(20)BrN(3)O(3), the pyrimidine ring is oriented at dihedral angles of 80.87 (3) and 15.99 (3)°, respectively, to the pyrimidine and bromo-phenyl rings. The dihedral angle between the two benzene rings is 88.37 (3)°. In the crystal structure, inter-molecular N-H⋯O and O-H⋯N hydrogen bonds link the mol-ecules. A π-π contact between pyrimidine and phenyl rings [centroid-centroid distance = 3.776 (3) Å] may further stabilize the structure. The methine H and the methyl C and H atoms are disordered over two positions and were refined with occupancies of 0.522 (13) and 0.478 (13).

3.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 5): o1151, 2009 Apr 30.
Artigo em Inglês | MEDLINE | ID: mdl-21583954

RESUMO

In the mol-ecule of the title compound, C(26)H(26)Br(2)O(6), the cyclo-hexane ring is in a chair conformation, while the five-membered and 1,3-dioxane rings both adopt envelope conformations. The dihedral angle between the benzene rings is 77.21 (3)°. In the crystal structure, weak inter-molecular C-H⋯O inter-actions link the mol-ecules into centrosymmetric dimers, forming R(2) (2)(14) ring motifs. One of the Br atoms, the methyl C and H atoms, and the C atom bonded to the methyl group of the five-membered ring are disordered over two positions. The Br atoms were refined with occupancies of 0.51 (4) and 0.49 (4), while the C and H atoms were refined with occupancies of 0.320 (18) and 0.680 (18).

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