3-[4-(10H-Indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]propan-1-ol

Gary S. Nichol; Peda V.L. Boddupally; Biswanath De; Laurence H. Hurley

doi:10.1107/S1600536811050215

3-[4-(10H-Indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]propan-1-ol

Gary S. Nichol, Peda V.L. Boddupally, Biswanath De, Laurence H. Hurley

Pharmacology and Toxicology

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

Abstract

In the title compound, C₂₂H₂₄N₄O, the aromatic moiety is essentially planar (r.m.s. deviation of a least-squares plane fitted through all non-H atoms = 0.0386 Å) and is rotated by 89.98 (4)°from the piperazine ring, which adopts the expected chair conformation. The propanol chain is not fully extended away from the piperazine ring. In the crystal, there are two unique hydrogen-bonding interactions. One is an O-H⋯N interaction which, together with an inversion-related symmetry equivalent, forms a ring motif. The second is an N-H⋯N interaction which links adjacent molecules by means of a chain motif which propagates in the c-axis direction. Overall, a two-dimensional hydrogen-bonded structure is formed.

Original language	English (US)
Pages (from-to)	o3465-o3466
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	67
Issue number	12
DOIs	https://doi.org/10.1107/S1600536811050215
State	Published - Dec 2011

Keywords

R factor = 0.039
T = 120 K
data-to-parameter ratio = 10.1
mean σ(C-C) = 0.003 Å
single-crystal X-ray study
wR factor = 0.108

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)
Condensed Matter Physics

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title = "3-[4-(10H-Indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]propan-1-ol",

abstract = "In the title compound, C22H24N4O, the aromatic moiety is essentially planar (r.m.s. deviation of a least-squares plane fitted through all non-H atoms = 0.0386 {\AA}) and is rotated by 89.98 (4)°from the piperazine ring, which adopts the expected chair conformation. The propanol chain is not fully extended away from the piperazine ring. In the crystal, there are two unique hydrogen-bonding interactions. One is an O-H⋯N interaction which, together with an inversion-related symmetry equivalent, forms a ring motif. The second is an N-H⋯N interaction which links adjacent molecules by means of a chain motif which propagates in the c-axis direction. Overall, a two-dimensional hydrogen-bonded structure is formed.",

keywords = "R factor = 0.039, T = 120 K, data-to-parameter ratio = 10.1, mean σ(C-C) = 0.003 {\AA}, single-crystal X-ray study, wR factor = 0.108",

author = "Nichol, {Gary S.} and Boddupally, {Peda V.L.} and Biswanath De and Hurley, {Laurence H.}",

year = "2011",

month = dec,

doi = "10.1107/S1600536811050215",

language = "English (US)",

volume = "67",

pages = "o3465--o3466",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "12",

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TY - JOUR

T1 - 3-[4-(10H-Indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]propan-1-ol

AU - Nichol, Gary S.

AU - Boddupally, Peda V.L.

AU - De, Biswanath

AU - Hurley, Laurence H.

PY - 2011/12

Y1 - 2011/12

N2 - In the title compound, C22H24N4O, the aromatic moiety is essentially planar (r.m.s. deviation of a least-squares plane fitted through all non-H atoms = 0.0386 Å) and is rotated by 89.98 (4)°from the piperazine ring, which adopts the expected chair conformation. The propanol chain is not fully extended away from the piperazine ring. In the crystal, there are two unique hydrogen-bonding interactions. One is an O-H⋯N interaction which, together with an inversion-related symmetry equivalent, forms a ring motif. The second is an N-H⋯N interaction which links adjacent molecules by means of a chain motif which propagates in the c-axis direction. Overall, a two-dimensional hydrogen-bonded structure is formed.

AB - In the title compound, C22H24N4O, the aromatic moiety is essentially planar (r.m.s. deviation of a least-squares plane fitted through all non-H atoms = 0.0386 Å) and is rotated by 89.98 (4)°from the piperazine ring, which adopts the expected chair conformation. The propanol chain is not fully extended away from the piperazine ring. In the crystal, there are two unique hydrogen-bonding interactions. One is an O-H⋯N interaction which, together with an inversion-related symmetry equivalent, forms a ring motif. The second is an N-H⋯N interaction which links adjacent molecules by means of a chain motif which propagates in the c-axis direction. Overall, a two-dimensional hydrogen-bonded structure is formed.

KW - R factor = 0.039

KW - T = 120 K

KW - data-to-parameter ratio = 10.1

KW - mean σ(C-C) = 0.003 Å

KW - single-crystal X-ray study

KW - wR factor = 0.108

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U2 - 10.1107/S1600536811050215

DO - 10.1107/S1600536811050215

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AN - SCOPUS:83155161124

VL - 67

SP - o3465-o3466

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

SN - 1600-5368

IS - 12

ER -

3-[4-(10H-Indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]propan-1-ol

Abstract

Keywords

ASJC Scopus subject areas

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