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Crystal structures and supramolecular assembly of 1 : 2 piperazine with o- and p-nitrophenol

Xiong, Ya ; An, TC ; He, C ; Liu, Y ; Chen, J ; Zha, CH ; Karlsson, Hans LU and Chen, XM (2002) In Journal of Chemical Crystallography 32(8). p.219-225
Abstract
1:2 Cocrystals of piperazine (PPN) with o- and p-nitrophenol (oNPH and pNPH) were obtained from aqueous solution. The co-crystal structure of PPN, 2pNPH, and 2H(2)O is triclinic space group P (1) over bar: a = 6.401(1) Angstrom, b = 6.7515(1) Angstrom, c = 11.219(1) Angstrom, alpha = 100.37(1)degrees, beta = 97.10(1)degrees, gamma = 99.99(1)degrees,V= 465.5(1) Angstrom(3), Z = 2. Refinement led to a final conventional R value of 0.0365 for 2081 reflections. PPN, 2oNPH, and 2H(2)O cocrystallize in the monoclinic space group P2(1) : a = 7.753(1) Angstrom, b = 10.888(2) Angstrom, c = 11.378(2) Angstrom, beta = 92.89(1)degrees, V = 953.1(3) Angstrom(3), Z = 2. Refinement led to a final conventional R value of 0.0347 for 1978 reflections. It... (More)
1:2 Cocrystals of piperazine (PPN) with o- and p-nitrophenol (oNPH and pNPH) were obtained from aqueous solution. The co-crystal structure of PPN, 2pNPH, and 2H(2)O is triclinic space group P (1) over bar: a = 6.401(1) Angstrom, b = 6.7515(1) Angstrom, c = 11.219(1) Angstrom, alpha = 100.37(1)degrees, beta = 97.10(1)degrees, gamma = 99.99(1)degrees,V= 465.5(1) Angstrom(3), Z = 2. Refinement led to a final conventional R value of 0.0365 for 2081 reflections. PPN, 2oNPH, and 2H(2)O cocrystallize in the monoclinic space group P2(1) : a = 7.753(1) Angstrom, b = 10.888(2) Angstrom, c = 11.378(2) Angstrom, beta = 92.89(1)degrees, V = 953.1(3) Angstrom(3), Z = 2. Refinement led to a final conventional R value of 0.0347 for 1978 reflections. It was found in both cocrystals that the hydroxyl H-atom of pNPH and oNPH was transferred to a N-atom of PPN, forming new ionic complexes PPNH22+.2(oNP(-)) and PPNH22+.2(pNP(-)), respectively. (Less)
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author
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organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
supramolecular, hydrogen bond, crystal, piperazine, nitrophenol
in
Journal of Chemical Crystallography
volume
32
issue
8
pages
219 - 225
publisher
Springer
external identifiers
  • wos:000178037000001
  • scopus:0036389224
ISSN
1074-1542
DOI
10.1023/A:1020292821315
language
English
LU publication?
yes
id
f11d3acc-931b-40e9-acb9-4245d24ccca5 (old id 328561)
date added to LUP
2016-04-01 17:11:47
date last changed
2022-01-29 01:00:58
@article{f11d3acc-931b-40e9-acb9-4245d24ccca5,
  abstract     = {{1:2 Cocrystals of piperazine (PPN) with o- and p-nitrophenol (oNPH and pNPH) were obtained from aqueous solution. The co-crystal structure of PPN, 2pNPH, and 2H(2)O is triclinic space group P (1) over bar: a = 6.401(1) Angstrom, b = 6.7515(1) Angstrom, c = 11.219(1) Angstrom, alpha = 100.37(1)degrees, beta = 97.10(1)degrees, gamma = 99.99(1)degrees,V= 465.5(1) Angstrom(3), Z = 2. Refinement led to a final conventional R value of 0.0365 for 2081 reflections. PPN, 2oNPH, and 2H(2)O cocrystallize in the monoclinic space group P2(1) : a = 7.753(1) Angstrom, b = 10.888(2) Angstrom, c = 11.378(2) Angstrom, beta = 92.89(1)degrees, V = 953.1(3) Angstrom(3), Z = 2. Refinement led to a final conventional R value of 0.0347 for 1978 reflections. It was found in both cocrystals that the hydroxyl H-atom of pNPH and oNPH was transferred to a N-atom of PPN, forming new ionic complexes PPNH22+.2(oNP(-)) and PPNH22+.2(pNP(-)), respectively.}},
  author       = {{Xiong, Ya and An, TC and He, C and Liu, Y and Chen, J and Zha, CH and Karlsson, Hans and Chen, XM}},
  issn         = {{1074-1542}},
  keywords     = {{supramolecular; hydrogen bond; crystal; piperazine; nitrophenol}},
  language     = {{eng}},
  number       = {{8}},
  pages        = {{219--225}},
  publisher    = {{Springer}},
  series       = {{Journal of Chemical Crystallography}},
  title        = {{Crystal structures and supramolecular assembly of 1 : 2 piperazine with o- and p-nitrophenol}},
  url          = {{http://dx.doi.org/10.1023/A:1020292821315}},
  doi          = {{10.1023/A:1020292821315}},
  volume       = {{32}},
  year         = {{2002}},
}