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1.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 12): o3387-8, 2012 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-23476218

RESUMO

The title compound, C24H18BrF3N4O4, is a 1,2,3-triazole derivative featuring, among others, a quinoline-derived substituent. In the crystal, C-H⋯O, C-H⋯N and C-H⋯F contacts connect the mol-ecules into a three-dimensional network. The shortest centroid-centroid distance between two aromatic systems is 3.896 (2) Šand is found between the two different six-membered rings of the quinoline scaffold in neighbouring mol-ecules.

2.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 12): o3389-90, 2012 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-23476219

RESUMO

In the title compound, C19H16F3NO6, a quinoline derivative featuring an annealated furan substituent, the mean planes of the carb-oxy substituents are at an angle of 74.3 (2)°. In the crystal, C-H⋯O contacts result in undulating chains along [110]. C-H⋯F contacts also occur. The shortest centroid-centroid distance between rings is 3.3376 (7) Å, involving two furan rings of neighbouring mol-ecules.

3.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 12): o3452, 2012 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-23476265

RESUMO

In the title compound, C14H19N3O2, the heterocycle adopts a (1)C4 conformation with the N atom being one of the flap atoms. In the crystal, classical N-H⋯O hydrogen bonds and C-H⋯O contacts connect the mol-ecules into a three-dimensional network.

4.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 11): o3155, 2012 Nov 01.
Artigo em Inglês | MEDLINE | ID: mdl-23284471

RESUMO

In the crystal structur of the achiral title compound, C(9)H(8)N(2), N-H⋯N hydrogen bonds connect the mol-ecules into zigzag chains in [100]. Weak inter-molecular N-H⋯π inter-actions further consolidate the crystal packing.

5.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 11): o3156-7, 2012 Nov 01.
Artigo em Inglês | MEDLINE | ID: mdl-23284472

RESUMO

In the title compound, C(20)H(21)N(3)O(2)·H(2)O, the aza-substitued six-membered ring adopts a (L4)B conformation. In the crystal, classical N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds connect the entities into a three-dimensional network. Intra-molecular C-H⋯O contacts are also observed.

6.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 11): o3215, 2012 Nov 01.
Artigo em Inglês | MEDLINE | ID: mdl-23284521

RESUMO

In the title compound, C(15)H(12)ClNO, the isoxazoline ring adopts an envelope conformation with the C atom bearing an unsubstituted phenyl ring as the flap atom. The chlorinated phenyl group is nearly in-plane with the four coplanar atoms of the heterocycle and the corresponding mean planes enclosing an angle of 1.16 (7)°. The unsubstituted phenyl group attached to the envelope flap atom approaches a nearly perpendicular orientation relative to the isoxazoline ring with a dihedral angle of 74.93 (7)°. In the crystal, weak C-H⋯O, C-H⋯N and C-H⋯π inter-actions connect the mol-ecules into layers perpendicular to the a axis.

7.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 11): o3218, 2012 Nov 01.
Artigo em Inglês | MEDLINE | ID: mdl-23284523

RESUMO

The title compound, C(20)H(22)N(2)O(3), is a secondary amine featuring an amide and an ester functionality in connection with a Michael system. The conformation about the C=C bond is E. Intra-molecular N-H⋯O hydrogen bonds occur. In the crystal, C-H⋯O contacts connect the mol-ecules into chains along the b-axis direction.

8.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 12): o3269-70, 2012 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-23468784

RESUMO

In the title compound, C23H27N3O4, the dihydro-pyridine ring adopts a (1,4)B conformation. Intra-molecular C-H⋯O contacts occur. In the crystal, N-H⋯O and N-H⋯N hydrogen bonds and C-H⋯N contacts connect the mol-ecules into strands along the a-axis direction.

9.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 12): o3302-3, 2012 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-23468809

RESUMO

In the title compound, C21H23N3O4S·H2O, the methyl-sulfanyl group is disordered over two sets of sites with site-occupancy factors of 0.631 (11) and 0.369 (11). The dihydro-pyridine ring adopts an E4 conformation. In the crystal, classical O-H⋯N, O-H⋯O and N-H⋯O hydrogen bonds, as well as C-H⋯O and C-H⋯S contacts, connect the mol-ecules into a three-dimensional network.

10.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 12): o3304-5, 2012 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-23468810

RESUMO

The asymmetric unit of the title compound, C13H10F3NO3, contains two independent mol-ecules with similar conformations. In the crystal, N-H⋯O hydrogen bonds link alternating independent mol-ecules into chains in [-110]. In the chain, the quinoline planes of the independent mol-ecules are almost perpendicular to each other, forming a dihedral angle of 89.8 (1)°. π-π inter-actions between the aromatic rings of quinoline bicycles related by inversion centres [for two independent centrosymmetric dimers, the shortest centroid-centroid distances are 3.495 (1) and 3.603 (1) Å] link the hydrogen-bonded chains into layers parallel to (110). Weak C-H⋯F and C-H⋯O inter-actions further consolidate the crystal packing.

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