title: Crystal structure of 6,9-dimethyl-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-8(9H)-one 0.40-hydrate.
abstract: In the mol-ecule of the title compound, C7H9N5O·0.40H2O, the seven-membered heterocyclic ring exhibits a boat conformation, whereas the five-membered triazole ring is almost planar (r.m.s. deviation = 0.005 Å). In the crystal, centrosymmetric dimers are linked by pairs of C-H⋯O hydrogen bonds into dimers, which are further connected via O-H⋯N and C-H⋯N hydrogen bonds, forming a three-dimensional network. The structure contains a partially occupied water mol-ecule lying on a twofold axis with an occupancy factor of 0.4.
authors.affiliation: Laboratoire de Chimie Organique Hétérocyclique URAC 21, Pôle de Compétences Pharmacochimie, Av. Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, Morocco.
authors.forename: Abdellah
authors.initials: A
authors.lastname: Harmaoui
authors.affiliation: Moroccan Foundation for Advanced Science, Innovation and Research (MASCIR), Rabat, Morocco.
authors.forename: Rachid
authors.initials: R
authors.lastname: Bouhfid
authors.affiliation: Laboratoire de Chimie Organique Hétérocyclique URAC 21, Pôle de Compétences Pharmacochimie, Av. Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, Morocco ; Moroccan Foundation for Advanced Science, Innovation and Research (MASCIR), Rabat, Morocco.
authors.forename: El Mokhtar
authors.initials: el M
authors.lastname: Essassi
authors.affiliation: Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V, Avenue Ibn Battouta, BP 1014, Rabat, Morocco.
authors.forename: Mohamed
authors.initials: M
authors.lastname: Saadi
authors.affiliation: Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V, Avenue Ibn Battouta, BP 1014, Rabat, Morocco.
authors.forename: Lahcen
authors.initials: L
authors.lastname: El Ammari
keywords: 1,2,4-triazepin-8(9H)-one; crystal structure; hydrogen bonding; pharmacological and biological activities