Synthesis and Crystal Structure of Pyridin-4-ylmethyl 4-Aminobenzoate, C13H12N2O2

James T.P. Matshwele; Sebusi Odisitse; Ofentse Mazimba; Lebogang G. Julius; Thuto Mogatwe; Florence Nareetsile

doi:10.1134/S1063774522070094

Synthesis and Crystal Structure of Pyridin-4-ylmethyl 4-Aminobenzoate, C₁₃H₁₂N₂O₂

James T.P. Matshwele
, Sebusi Odisitse
, Ofentse Mazimba
, Lebogang G. Julius
, Thuto Mogatwe
, Florence Nareetsile

Botswana International University of Science & Technology

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

1 Citation (Scopus)

Abstract

Abstract: The structure of pyridin-4-ylmethyl 4-aminobenzoate was determined using single crystal X-ray diffraction. The compound was also characterized by elemental analysis, which showed the product was pure, and Fourier-transform infrared spectroscopy, which showed all important functional groups associated with the molecule. The compound crystallized in the orthorhombic space group Pna2₁, and the unit cell parameters were: a = 11.1735(16) Å, b = 8.3548(13) Å, c = 12.3831(17) Å, V = 1156.0(3) Å³, Z = 4. The crystal structure was solved by intrinsic phasing and refined to the final values R₁ = 0.0429 and wR₂ = 0.1312.

Original language	English
Pages (from-to)	1203-1206
Number of pages	4
Journal	Crystallography Reports
Volume	67
Issue number	7
DOIs	https://doi.org/10.1134/S1063774522070094
Publication status	Published - Dec 2022

All Science Journal Classification (ASJC) codes

General Chemistry
General Materials Science
Condensed Matter Physics

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@article{37eee9b4a17d4c77ace88e69294f95ef,

title = "Synthesis and Crystal Structure of Pyridin-4-ylmethyl 4-Aminobenzoate, C13H12N2O2",

abstract = "Abstract: The structure of pyridin-4-ylmethyl 4-aminobenzoate was determined using single crystal X-ray diffraction. The compound was also characterized by elemental analysis, which showed the product was pure, and Fourier-transform infrared spectroscopy, which showed all important functional groups associated with the molecule. The compound crystallized in the orthorhombic space group Pna21, and the unit cell parameters were: a = 11.1735(16) {\AA}, b = 8.3548(13) {\AA}, c = 12.3831(17) {\AA}, V = 1156.0(3) {\AA}3, Z = 4. The crystal structure was solved by intrinsic phasing and refined to the final values R1 = 0.0429 and wR2 = 0.1312.",

author = "Matshwele, \{James T.P.\} and Sebusi Odisitse and Ofentse Mazimba and Julius, \{Lebogang G.\} and Thuto Mogatwe and Florence Nareetsile",

note = "Funding Information: The authors would like to thank the BIUST Office of Research Development and Innovation (ORDI) (research grant no. S00326), and the University of Botswana for providing research facilities and the SC-XRD instrument. Publisher Copyright: {\textcopyright} 2022, Pleiades Publishing, Inc.",

year = "2022",

month = dec,

doi = "10.1134/S1063774522070094",

language = "English",

volume = "67",

pages = "1203--1206",

journal = "Crystallography Reports",

issn = "1063-7745",

publisher = "Pleiades Publishing",

number = "7",

}

TY - JOUR

T1 - Synthesis and Crystal Structure of Pyridin-4-ylmethyl 4-Aminobenzoate, C13H12N2O2

AU - Matshwele, James T.P.

AU - Odisitse, Sebusi

AU - Mazimba, Ofentse

AU - Julius, Lebogang G.

AU - Mogatwe, Thuto

AU - Nareetsile, Florence

N1 - Funding Information: The authors would like to thank the BIUST Office of Research Development and Innovation (ORDI) (research grant no. S00326), and the University of Botswana for providing research facilities and the SC-XRD instrument. Publisher Copyright: © 2022, Pleiades Publishing, Inc.

PY - 2022/12

Y1 - 2022/12

N2 - Abstract: The structure of pyridin-4-ylmethyl 4-aminobenzoate was determined using single crystal X-ray diffraction. The compound was also characterized by elemental analysis, which showed the product was pure, and Fourier-transform infrared spectroscopy, which showed all important functional groups associated with the molecule. The compound crystallized in the orthorhombic space group Pna21, and the unit cell parameters were: a = 11.1735(16) Å, b = 8.3548(13) Å, c = 12.3831(17) Å, V = 1156.0(3) Å3, Z = 4. The crystal structure was solved by intrinsic phasing and refined to the final values R1 = 0.0429 and wR2 = 0.1312.

AB - Abstract: The structure of pyridin-4-ylmethyl 4-aminobenzoate was determined using single crystal X-ray diffraction. The compound was also characterized by elemental analysis, which showed the product was pure, and Fourier-transform infrared spectroscopy, which showed all important functional groups associated with the molecule. The compound crystallized in the orthorhombic space group Pna21, and the unit cell parameters were: a = 11.1735(16) Å, b = 8.3548(13) Å, c = 12.3831(17) Å, V = 1156.0(3) Å3, Z = 4. The crystal structure was solved by intrinsic phasing and refined to the final values R1 = 0.0429 and wR2 = 0.1312.

UR - https://www.scopus.com/pages/publications/85148223774

UR - https://www.scopus.com/pages/publications/85148223774#tab=citedBy

U2 - 10.1134/S1063774522070094

DO - 10.1134/S1063774522070094

M3 - Article

AN - SCOPUS:85148223774

SN - 1063-7745

VL - 67

SP - 1203

EP - 1206

JO - Crystallography Reports

JF - Crystallography Reports

IS - 7

ER -

Synthesis and Crystal Structure of Pyridin-4-ylmethyl 4-Aminobenzoate, C₁₃H₁₂N₂O₂

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