X-ray and spectroscopic re-investigation of the 1:1 complex formed between urotropine and resorcinol

S. W. Ng; P. Naumov; A. R. Ibrahim; H. K. Fun; S. Chantrapromma; G. Wojciechowski; B. Brzezinski; J. V. Hanna

doi:10.1016/S0022-2860(01)00945-0

X-ray and spectroscopic re-investigation of the 1:1 complex formed between urotropine and resorcinol

S. W. Ng, P. Naumov, A. R. Ibrahim, H. K. Fun, S. Chantrapromma, G. Wojciechowski, B. Brzezinski, J. V. Hanna

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

The 1:1 urotropine-resorcinol complex, which has been previously described in the non-centric C2cm space group, is redetermined in the centrosymmetric Cmcm space group. In the crystal structure, the urotropine moiety is linked to the resorcinol moiety by a single hydrogen bond [O···N = 2.769(4) Å]. The FT IR spectrum of the complex reflects the crystallographic features of the disordered structure.

Original language	English (US)
Pages (from-to)	89-95
Number of pages	7
Journal	Journal of Molecular Structure
Volume	609
Issue number	1-3
DOIs	https://doi.org/10.1016/S0022-2860(01)00945-0
State	Published - May 30 2002

Keywords

C NMR
Crystal structure
FT IR spectroscopy
H NMR
Intermolecular hydrogen bond
Solid-state C NMR
Urotropine

ASJC Scopus subject areas

Analytical Chemistry
Spectroscopy
Organic Chemistry
Inorganic Chemistry

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10.1016/S0022-2860(01)00945-0

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@article{098eaee4b4e8426b866ca58b7b8dbf64,

title = "X-ray and spectroscopic re-investigation of the 1:1 complex formed between urotropine and resorcinol",

abstract = "The 1:1 urotropine-resorcinol complex, which has been previously described in the non-centric C2cm space group, is redetermined in the centrosymmetric Cmcm space group. In the crystal structure, the urotropine moiety is linked to the resorcinol moiety by a single hydrogen bond [O···N = 2.769(4) {\AA}]. The FT IR spectrum of the complex reflects the crystallographic features of the disordered structure.",

keywords = "C NMR, Crystal structure, FT IR spectroscopy, H NMR, Intermolecular hydrogen bond, Solid-state C NMR, Urotropine",

author = "Ng, {S. W.} and P. Naumov and Ibrahim, {A. R.} and Fun, {H. K.} and S. Chantrapromma and G. Wojciechowski and B. Brzezinski and Hanna, {J. V.}",

note = "Funding Information: We are grateful to Prof. Y. Ohashi (Tokyo Institute of Technology) for kindly providing access to the computer facilities. We thank the National Science Council for R & D, Malaysia (IRPA 09-02-03-0662, 190-9609-2801, 305/PFIZIK/610942), the University of Malaya (PJP 0758/2001A) the Polish Committee for Scientific Research (KBN, Research Project 3 T09A 01817) for supporting this work. G. Wojciechowski thanks Foundation of Polish Science for fellowship. ",

year = "2002",

month = may,

day = "30",

doi = "10.1016/S0022-2860(01)00945-0",

language = "English (US)",

volume = "609",

pages = "89--95",

journal = "Journal of Molecular Structure",

issn = "0022-2860",

publisher = "Elsevier",

number = "1-3",

}

TY - JOUR

T1 - X-ray and spectroscopic re-investigation of the 1:1 complex formed between urotropine and resorcinol

AU - Ng, S. W.

AU - Naumov, P.

AU - Ibrahim, A. R.

AU - Fun, H. K.

AU - Chantrapromma, S.

AU - Wojciechowski, G.

AU - Brzezinski, B.

AU - Hanna, J. V.

N1 - Funding Information: We are grateful to Prof. Y. Ohashi (Tokyo Institute of Technology) for kindly providing access to the computer facilities. We thank the National Science Council for R & D, Malaysia (IRPA 09-02-03-0662, 190-9609-2801, 305/PFIZIK/610942), the University of Malaya (PJP 0758/2001A) the Polish Committee for Scientific Research (KBN, Research Project 3 T09A 01817) for supporting this work. G. Wojciechowski thanks Foundation of Polish Science for fellowship.

PY - 2002/5/30

Y1 - 2002/5/30

N2 - The 1:1 urotropine-resorcinol complex, which has been previously described in the non-centric C2cm space group, is redetermined in the centrosymmetric Cmcm space group. In the crystal structure, the urotropine moiety is linked to the resorcinol moiety by a single hydrogen bond [O···N = 2.769(4) Å]. The FT IR spectrum of the complex reflects the crystallographic features of the disordered structure.

AB - The 1:1 urotropine-resorcinol complex, which has been previously described in the non-centric C2cm space group, is redetermined in the centrosymmetric Cmcm space group. In the crystal structure, the urotropine moiety is linked to the resorcinol moiety by a single hydrogen bond [O···N = 2.769(4) Å]. The FT IR spectrum of the complex reflects the crystallographic features of the disordered structure.

KW - C NMR

KW - Crystal structure

KW - FT IR spectroscopy

KW - H NMR

KW - Intermolecular hydrogen bond

KW - Solid-state C NMR

KW - Urotropine

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U2 - 10.1016/S0022-2860(01)00945-0

DO - 10.1016/S0022-2860(01)00945-0

M3 - Article

AN - SCOPUS:0037198459

SN - 0022-2860

VL - 609

SP - 89

EP - 95

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

IS - 1-3

ER -

X-ray and spectroscopic re-investigation of the 1:1 complex formed between urotropine and resorcinol

Abstract

Keywords

ASJC Scopus subject areas

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