Crystal structures and supramolecular assembly of 1 : 2 piperazine with o- and p-nitrophenol
(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)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/328561
- author
- Xiong, Ya ; An, TC ; He, C ; Liu, Y ; Chen, J ; Zha, CH ; Karlsson, Hans LU and Chen, XM
- organization
- publishing date
- 2002
- 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
- 2023-09-05 08:55:42
@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}}, }