Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 5 de 5
Filtrar
Mais filtros










Base de dados
Intervalo de ano de publicação
1.
Acta Crystallogr E Crystallogr Commun ; 80(Pt 7): 777-782, 2024 Jun 01.
Artigo em Inglês | MEDLINE | ID: mdl-38974158

RESUMO

In the title compound, C19H18BrFN2O, the pyrrolidine ring adopts an envelope conformation. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O, C-H⋯O, C-H⋯F and C-H⋯Br hydrogen bonds, forming a three-dimensional network. In addition, C-H⋯π inter-actions connect mol-ecules into ribbons along the b-axis direction, consolidating the mol-ecular packing. The inter-molecular inter-actions in the crystal structure were qu-anti-fied and analysed using Hirshfeld surface analysis.

2.
Acta Crystallogr E Crystallogr Commun ; 80(Pt 6): 572-576, 2024 May 01.
Artigo em Inglês | MEDLINE | ID: mdl-38845716

RESUMO

In the title compound, C15H13NO3S, the mol-ecular conformation is stable with the intra-molecular O-H⋯O hydrogen bond forming a S(7) ring motif. In the crystal, mol-ecules are connected by C-H⋯O hydrogen bonds, forming C(8) chains running along the a-axis direction. Cohesion of the packing is provided by weak van der Waals inter-actions between the chains. A Hirshfeld surface analysis was undertaken to investigate and qu-antify the inter-molecular inter-actions. The thio-phene ring is disordered in a 0.9466 (17):0.0534 (17) ratio over two positions rotated by 180°.

3.
Acta Crystallogr E Crystallogr Commun ; 80(Pt 6): 615-619, 2024 May 01.
Artigo em Inglês | MEDLINE | ID: mdl-38845722

RESUMO

The title mol-ecule, C18H26O4, consists of two symmetrical halves related by the inversion centre at the mid-point of the central -C-C- bond. The hexene ring adopts an envelope conformation. In the crystal, the mol-ecules are connected into dimers by C-H⋯O hydrogen bonds with R 2 2(8) ring motifs, forming zigzag ribbons along the b-axis direction. According to a Hirshfeld surface analysis, H⋯H (68.2%) and O⋯H/H⋯O (25.9%) inter-actions are the most significant contributors to the crystal packing. The contribution of some disordered solvent to the scattering was removed using the SQUEEZE routine [Spek (2015 ▸). Acta Cryst. C71, 9-18] in PLATON. The solvent contribution was not included in the reported mol-ecular weight and density.

4.
Acta Crystallogr E Crystallogr Commun ; 80(Pt 5): 537-542, 2024 Apr 01.
Artigo em Inglês | MEDLINE | ID: mdl-38721417

RESUMO

In the title compound, C24H21NO3S, the cyclopentene ring adopts an envelope conformation. In the crystal, mol-ecules are linked by C-H⋯π inter-actions, forming ribbons along the a axis. Inter-molecular C-H⋯O hydrogen bonds connect these ribbons to each other, forming layers parallel to the (01) plane. The mol-ecular packing is strengthened by van der Waals inter-actions between the layers. The inter-molecular contacts were qu-anti-fied using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative contributions of the contacts to the crystal packing to be H⋯H 46.0%, C⋯H/H⋯C 21.1%, O⋯H/H⋯O 20.6% and S⋯H/H⋯S 9.0%.

5.
Acta Crystallogr E Crystallogr Commun ; 80(Pt 4): 418-422, 2024 Mar 01.
Artigo em Inglês | MEDLINE | ID: mdl-38584731

RESUMO

The asymmetric unit of the title compound, 2C31H28N2O4S·C2H6O, contains a parent mol-ecule and a half mol-ecule of ethanol solvent. The main compound stabilizes its mol-ecular conformation by forming a ring with an R 1 2(7) motif with the ethanol solvent mol-ecule. In the crystal, mol-ecules are connected by C-H⋯O and O-H⋯O hydrogen bonds, forming a three-dimensional network. In addition, C-H⋯π inter-actions also strengthen the mol-ecular packing.

SELEÇÃO DE REFERÊNCIAS
DETALHE DA PESQUISA
...