TY - JOUR
T1 - Syntheses and crystal structures of 4-(4-nitrophenyl)piperazin-1-ium benzoate monohydrate and 4-(4-nitrophenyl)piperazin-1-ium 2-carboxy-4,6-dinitrophenolate
AU - Shankara Prasad, Holehundi J.
AU - Devaraju,
AU - Vinaya,
AU - Yathirajan, Hemmige S.
AU - Parkin, Sean R.
AU - Glidewell, Christopher
N1 - Publisher Copyright:
© 2022 IUCr.
PY - 2022/8/1
Y1 - 2022/8/1
N2 - Crystal structures are reported for two molecular salts containing the 4-(4-nitrophenyl)piperazin-1-ium cation. Co-crystallization from methanol/ethyl acetate solution of N-(4-nitrophenyl)piperazine with benzoic acid gives the benzoate salt, which crystallizes as a monohydrate, C10H14N3O2·C7H5O2·H2O, (I), and similar co-crystallization with 3,5-dinitrosalicylic acid yields the 2-carboxy-4,6-dinitrophenolate salt, C10H14N3O2·C7H3N2O7, (II). In the structure of (I), a combination of O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds links the components into sheets, while in the structure of (II), the supramolecular assembly, generated by hydrogen bonds of the same types as in (I), is three dimensional. Comparisons are made with the structures of some related compounds.
AB - Crystal structures are reported for two molecular salts containing the 4-(4-nitrophenyl)piperazin-1-ium cation. Co-crystallization from methanol/ethyl acetate solution of N-(4-nitrophenyl)piperazine with benzoic acid gives the benzoate salt, which crystallizes as a monohydrate, C10H14N3O2·C7H5O2·H2O, (I), and similar co-crystallization with 3,5-dinitrosalicylic acid yields the 2-carboxy-4,6-dinitrophenolate salt, C10H14N3O2·C7H3N2O7, (II). In the structure of (I), a combination of O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds links the components into sheets, while in the structure of (II), the supramolecular assembly, generated by hydrogen bonds of the same types as in (I), is three dimensional. Comparisons are made with the structures of some related compounds.
KW - crystal structure
KW - hydrogen bonding
KW - molecular structure
KW - piperazine
KW - supramolecular assembly
KW - synthesis
UR - http://www.scopus.com/inward/record.url?scp=85136978607&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85136978607&partnerID=8YFLogxK
U2 - 10.1107/S2056989022007472
DO - 10.1107/S2056989022007472
M3 - Article
AN - SCOPUS:85136978607
SN - 2056-9890
VL - 78
SP - 840
EP - 845
JO - Acta Crystallographica Section E: Crystallographic Communications
JF - Acta Crystallographica Section E: Crystallographic Communications
ER -