Abstract
The asymmetric unit of the title monohydrated salt, 2C26H28F2N2 2+·4Cl−.H2O, consists of a 1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-3-phenylprop-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 molecule 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-fluorophenyl rings are 89.3 (9) and 35.0 (5)°. The two fluorophenyl rings are inclined at 65.0 (5)° to one another. In the crystal, N—H⋯Cl hydrogen bonds and weak C—H⋯Cl intermolecular interactions link the molecules into chains along [010]. In addition, weak C—H⋯O interactions between the piperizine and prop-2-en-1-yl groups with the water molecule, along with weak C—H⋯Cl interactions between the prop-2en-1-yl and methyl groups with the chloride ions, weak C—H⋯F interactions between the two fluorophenyl groups and weak O—H⋯Cl interactions between the water molecule and chloride ions form a three-dimensional supramolecular network.
Highlights
The asymmetric unit of the title monohydrated salt, 2C26H28F2N22+4Cl.H2O, consists of a 1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-3-phenylprop-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 molecule that lies on a twofold rotation axis
The dihedral angles between the phenyl ring and the 4-fluorophenyl rings are 89.3 (9) and 35.0 (5)
Symmetry codes: (i) −x+1, −y+2, −z+1; (ii) −x+1, −y+1, −z+1; (iii) x, −y+2, z+1/2
Summary
The asymmetric unit of the title monohydrated salt, 2C26H28F2N22+4Cl.H2O, consists of a 1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-3-phenylprop-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 molecule that lies on a twofold rotation axis. The piperazine ring adopts a slightly distorted chair conformation. The two fluorophenyl rings are inclined at 65.0 (5) to one another. N—H Cl hydrogen bonds and weak C—H Cl intermolecular interactions link the molecules into chains along [010]. Weak C—H O interactions between the piperizine and prop-2-en-1-yl groups with the water molecule, along with weak C—H Cl interactions between the prop-2en-1-yl and methyl groups with the chloride ions, weak C—H F interactions between the two fluorophenyl groups and weak. O—H Cl interactions between the water molecule and chloride ions form a three-dimensional supramolecular network
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