Crystal Structure of 6,7-Dihydro-5a,7a,13,14-tetraaza-pentaphene-5,8-dione

Jean Guillon (1) , Maria de Fatima Pereira-Rosenfeld (2, 3) , Noël Pinaud (4) , Thierry Besson (5) , Valérie Thiéry (2) , Laurent Picot (2) , Mathieu Marchivie (6)

1 ARNA - Acides Nucléiques : Régulations Naturelle et Artificielle
2 LIENSs - LIttoral ENvironnement et Sociétés - UMR 7266
3 CERMN - Centre d'Etudes et de Recherche sur le Médicament de Normandie
4 ISM - Institut des Sciences Moléculaires
5 COBRA - Chimie Organique et Bioorganique : Réactivité et Analyse
6 ICMCB - Institut de Chimie de la Matière Condensée de Bordeaux

The X-ray crystal structure of 6,7-dihydro-5a,7a,13,14-tetraaza-pentaphene-5,8-dione, a potential antiproliferative agent on A2058 melanoma cells, was established. It crystallizes in the monoclinic space group P21/c with cell parameters a = 24.879(3)Å, b = 6.868(2)Å, c = 26.068(4Å, α = 90, β = 110.49(2), γ = 90, V = 4172.4(15)Å3 and Z = 12. The crystal structure was refined to final values of R1 = 0.1353 and wR2 = 0.1936. An X-ray crystal structure analysis revealed that each molecule features intermolecular CArom.–H···O hydrogen bonds to form trimers.

Domains: Chemical Sciences; Cristallography; Chemical Sciences; Medicinal Chemistry

Jean Guillon, Maria de Fatima Pereira-Rosenfeld, Noël Pinaud, Thierry Besson, Valérie Thiéry, et al.. Crystal Structure of 6,7-Dihydro-5a,7a,13,14-tetraaza-pentaphene-5,8-dione. X-Ray Structure Analysis Online, 2019, 35 (10), pp.57-59. ⟨10.2116/xraystruct.35.57⟩. ⟨hal-02330806⟩