X-ray and hydrogen-bonding Properties of 1-((1H-benzotriazol-1-yl)methyl) naphthalen-2-ol

Augusto Rivera; Yorley Duarte; Diego González-Salas; Jaime Ríos-Motta; Guillermo Zaragoza

doi:10.3390/molecules14031234

X-ray and hydrogen-bonding Properties of 1-((1H-benzotriazol-1-yl)methyl) naphthalen-2-ol

Augusto Rivera, Yorley Duarte, Diego González-Salas, Jaime Ríos-Motta, Guillermo Zaragoza

Life Sciences School

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

6 Citations (Scopus)

Abstract

The solid state structure of 1-((1H-benzotriazol-1-yl)methyl)naphthalen-2- ol, C₁₇H₁₃N_3O, shows that this Mannich base crystallizes forming intermolecular N HO hydrogen bonds, rather than intramolecular ones. Factors contributing to this choice of hydrogen-bonding mode are discussed. The compound crystallizes in the monoclinic system, P21/c space group, with lattice constants: a = 11.7934(9) Å, b = 14.3002(14) Å, c = 8.4444(8) Å, β = 106.243(5) deg, V = 1367.3(2) Å³, Z = 4, F(000) = 576, R₁ = 6.96%, wR₂ = 11.4%.

Original language	English
Pages (from-to)	1234-1244
Number of pages	11
Journal	Molecules
Volume	14
Issue number	3
DOIs	https://doi.org/10.3390/molecules14031234
Publication status	Published - 1 Mar 2009

Keywords

1-((1H-benzotriazol-1-yl)methyl)naphthalen-2-ol
Benzotriazole
Intrα-intermolecular hydrogen bond
Mannich bases
Single crystal X-ray diffraction

ASJC Scopus subject areas

Analytical Chemistry
Chemistry (miscellaneous)
Molecular Medicine
Pharmaceutical Science
Drug Discovery
Physical and Theoretical Chemistry
Organic Chemistry

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10.3390/molecules14031234

Cite this

@article{168d264b6af54badaec7f65c74a6a76a,

title = "X-ray and hydrogen-bonding Properties of 1-((1H-benzotriazol-1-yl)methyl) naphthalen-2-ol",

abstract = "The solid state structure of 1-((1H-benzotriazol-1-yl)methyl)naphthalen-2- ol, C17H13N3O, shows that this Mannich base crystallizes forming intermolecular N HO hydrogen bonds, rather than intramolecular ones. Factors contributing to this choice of hydrogen-bonding mode are discussed. The compound crystallizes in the monoclinic system, P21/c space group, with lattice constants: a = 11.7934(9) {\AA}, b = 14.3002(14) {\AA}, c = 8.4444(8) {\AA}, β = 106.243(5) deg, V = 1367.3(2) {\AA}3, Z = 4, F(000) = 576, R1 = 6.96%, wR2 = 11.4%.",

keywords = "1-((1H-benzotriazol-1-yl)methyl)naphthalen-2-ol, Benzotriazole, Intrα-intermolecular hydrogen bond, Mannich bases, Single crystal X-ray diffraction",

author = "Augusto Rivera and Yorley Duarte and Diego Gonz{\'a}lez-Salas and Jaime R{\'i}os-Motta and Guillermo Zaragoza",

year = "2009",

month = mar,

day = "1",

doi = "10.3390/molecules14031234",

language = "English",

volume = "14",

pages = "1234--1244",

journal = "Molecules",

issn = "1420-3049",

publisher = "Multidisciplinary Digital Publishing Institute (MDPI)",

number = "3",

}

TY - JOUR

T1 - X-ray and hydrogen-bonding Properties of 1-((1H-benzotriazol-1-yl)methyl) naphthalen-2-ol

AU - Rivera, Augusto

AU - Duarte, Yorley

AU - González-Salas, Diego

AU - Ríos-Motta, Jaime

AU - Zaragoza, Guillermo

PY - 2009/3/1

Y1 - 2009/3/1

N2 - The solid state structure of 1-((1H-benzotriazol-1-yl)methyl)naphthalen-2- ol, C17H13N3O, shows that this Mannich base crystallizes forming intermolecular N HO hydrogen bonds, rather than intramolecular ones. Factors contributing to this choice of hydrogen-bonding mode are discussed. The compound crystallizes in the monoclinic system, P21/c space group, with lattice constants: a = 11.7934(9) Å, b = 14.3002(14) Å, c = 8.4444(8) Å, β = 106.243(5) deg, V = 1367.3(2) Å3, Z = 4, F(000) = 576, R1 = 6.96%, wR2 = 11.4%.

AB - The solid state structure of 1-((1H-benzotriazol-1-yl)methyl)naphthalen-2- ol, C17H13N3O, shows that this Mannich base crystallizes forming intermolecular N HO hydrogen bonds, rather than intramolecular ones. Factors contributing to this choice of hydrogen-bonding mode are discussed. The compound crystallizes in the monoclinic system, P21/c space group, with lattice constants: a = 11.7934(9) Å, b = 14.3002(14) Å, c = 8.4444(8) Å, β = 106.243(5) deg, V = 1367.3(2) Å3, Z = 4, F(000) = 576, R1 = 6.96%, wR2 = 11.4%.

KW - 1-((1H-benzotriazol-1-yl)methyl)naphthalen-2-ol

KW - Benzotriazole

KW - Intrα-intermolecular hydrogen bond

KW - Mannich bases

KW - Single crystal X-ray diffraction

UR - http://www.scopus.com/inward/record.url?scp=63449102193&partnerID=8YFLogxK

U2 - 10.3390/molecules14031234

DO - 10.3390/molecules14031234

M3 - Article

C2 - 19325520

AN - SCOPUS:63449102193

SN - 1420-3049

VL - 14

SP - 1234

EP - 1244

JO - Molecules

JF - Molecules

IS - 3

ER -

X-ray and hydrogen-bonding Properties of 1-((1H-benzotriazol-1-yl)methyl) naphthalen-2-ol

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

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