Warning: Undefined array key "mm" in /www/wwwroot/www.ai-bt.com/si.php on line 10 Deprecated: trim(): Passing null to parameter #1 ($string) of type string is deprecated in /www/wwwroot/www.ai-bt.com/si.php on line 10 Crystal structure and Hirshfeld surface analysis of 5-acetyl-3-amino-6-methyl-N-phenyl-4-[(E)-2-phenyl-ethen-yl]thieno[2,3-b]pyridine-2-carbox-amide.

Literature DB >> 35145756

Crystal structure and Hirshfeld surface analysis of 5-acetyl-3-amino-6-methyl-N-phenyl-4-[(E)-2-phenyl-ethen-yl]thieno[2,3-b]pyridine-2-carbox-amide.

Shaaban K Mohamed^1,2, Etify A Bakhite³, Sevim Türktekin Çelikesir⁴, Hajjaj H M Abdu-Allah⁵, Mehmet Akkurt⁴, Omaima F Ibrahim³, Joel T Mague⁶, Safiyyah A H Al-Waleedy⁷.

Abstract

The asymmetric unit of the title compound, C25H21N3O2S, comprises four mol-ecules. Their conformations differ primarily in the orientations of the styryl and the N-phenyl-carboxamido groups. In the crystal, inter-molecular N-H⋯N, C-H⋯O and C-H⋯S hydrogen-bonding contacts as well a C-H⋯π(ring) inter-actions lead to the formation of a layer structure parallel to (010). Hirshfeld surface analysis revealed that H⋯H inter-actions represent the main contributions to the crystal packing. © Mohamed et al. 2022.

Entities: Chemical

Keywords: C–H⋯π(ring) interactions; Hirshfeld surface analysis; N-phenylcarboxamido group; crystal structure; styryl group; thiopyridine

Year: 2022 PMID： 35145756 PMCID： PMC8819448 DOI： 10.1107/S2056989022000743

Source DB: PubMed Journal: Acta Crystallogr E Crystallogr Commun

Keyword Cloud
References

16 in total

1. Design, synthesis, SAR, and biological evaluation of new 4-(phenylamino)thieno[2,3-b]pyridine derivatives.

Authors: Alice Maria Rolim Bernardino; Luiz Carlos da Silva Pinheiro; Carlos Rangel Rodrigues; Natália Izabel Loureiro; Helena Carla Castro; Adriana Lanfredi-Rangel; Juliano Sabatini-Lopes; Júlio César Borges; Jane Maria Carvalho; Gilberto Alves Romeiro; Vitor Francisco Ferreira; Izabel C P P Frugulhetti; Marcos André Vannier-Santos
Journal: Bioorg Med Chem Date: 2006-06-14 Impact factor: 3.641

2. Ethyl methyl 1,4-dihydro-4-(3-nitrophenyl)-2, 6-bis(1-piperidylmethyl)pyridine-3,5-dicarboxylate.

Authors: J Duque; H Novoa De Armas; R Pomés Hernández; M Suárez Navarro; E Ochoa Rodríguez; E Salfrán; Y Verdecia Reyes; N M Blaton; O M Peeters; C J De Ranter
Journal: Acta Crystallogr C Date: 2000-11 Impact factor: 1.172

3. Synthesis and antimicrobial testing of some new S-substituted-thiopyridines, thienopyridines, pyridothienopyrimidines and pyridothienotriazines.

Authors: A E Abdel-Rahman; E A Bakhite; E A Al-Taifi
Journal: Pharmazie Date: 2003-06 Impact factor: 1.267

10. Crystal structure of ethyl 3-amino-6-methyl-2-[(4-methyl-phen-yl)carbamo-yl]-4-[(E)-2-phenyl-ethen-yl]thieno[2,3-b]pyridine-5-carboxyl-ate monohydrate.

Authors: Joel T Mague; Mehmet Akkurt; Shaaban K Mohamed; Etify A Bakhite; Mustafa R Albayati
Journal: Acta Crystallogr E Crystallogr Commun Date: 2016-02-06

Crystal structure and Hirshfeld surface analysis of 5-acetyl-3-amino-6-methyl-N-phenyl-4-[(E)-2-phenyl-ethen-yl]thieno[2,3-b]pyridine-2-carbox-amide.

1. Design, synthesis, SAR, and biological evaluation of new 4-(phenylamino)thieno[2,3-b]pyridine derivatives.

2. Ethyl methyl 1,4-dihydro-4-(3-nitrophenyl)-2, 6-bis(1-piperidylmethyl)pyridine-3,5-dicarboxylate.

3. Synthesis and antimicrobial testing of some new S-substituted-thiopyridines, thienopyridines, pyridothienopyrimidines and pyridothienotriazines.

4. Ethyl 3-(4-methyl-benzene-sulfonamido)thieno[2,3-b]pyridine-2-carboxyl-ate.

5. SHELXT - integrated space-group and crystal-structure determination.

6. Crystal structure refinement with SHELXL.

7. Design, Synthesis, Characterization, and Insecticidal Bioefficacy Screening of Some New Pyridine Derivatives.

8. 4-(3-Fluoro-anilino)thieno[2,3-b]pyridine-6-carb-oxy-lic acid.

9. The Cambridge Structural Database.

10. Crystal structure of ethyl 3-amino-6-methyl-2-[(4-methyl-phen-yl)carbamo-yl]-4-[(E)-2-phenyl-ethen-yl]thieno[2,3-b]pyridine-5-carboxyl-ate monohydrate.