title: 1-[Bis(4-fluoro-phen-yl)meth-yl]-4-[(2Z)-3-phenyl-prop-2-en-1-yl]piperazine-1,4-diium dichloride hemihydrate.
abstract: The asymmetric unit of the title monohydrated salt, 2C26H28F2N2 (2+)·4Cl(-.)H2O, consists of a 1-[bis-(4-fluoro-phen-yl)meth-yl]-4-[(2Z)-3-phenyl-prop-2-en-1-yl]piperazine-1,4-diium cation with a diprotonated piperizine ring in close proximity to two chloride anions and a single water mol-ecule that lies on a twofold rotation axis. In the cation, the piperazine ring adopts a slightly distorted chair conformation. The dihedral angles between the phenyl ring and the 4-fluoro-phenyl rings are 89.3 (9) and 35.0 (5)°. The two fluoro-phenyl rings are inclined at 65.0 (5)° to one another. In the crystal, N-H⋯Cl hydrogen bonds and weak C-H⋯Cl inter-molecular inter-actions link the mol-ecules into chains along [010]. In addition, weak C-H⋯O inter-actions between the piperizine and prop-2-en-1-yl groups with the water mol-ecule, along with weak C-H⋯Cl inter-actions between the prop-2en-1-yl and methyl groups with the chloride ions, weak C-H⋯F inter-actions between the two fluoro-phenyl groups and weak O-H⋯Cl inter-actions between the water mol-ecule and chloride ions form a three-dimensional supra-molecular network.
authors.affiliation: Vittal Mallya Scientific Research Foundation, #94/3, 23rd Cross; 29th Main; BTM II Stage, Bangalore, 560-076, India.
authors.forename: S
authors.initials: S
authors.lastname: Shivaprakash
authors.affiliation: Vittal Mallya Scientific Research Foundation, #94/3, 23rd Cross; 29th Main; BTM II Stage, Bangalore, 560-076, India.
authors.forename: G
authors.initials: G
authors.lastname: Chandrasekara Reddy
authors.affiliation: Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA.
authors.forename: Jerry P
authors.initials: JP
authors.lastname: Jasinski