X-ray Structure Determination of Naphthalen-2-yl 1-(Benzamido(diethoxyphosphoryl)methyl)-1H-1,2,3-triazole-4-carboxylate

Engineering Laboratory of Organometallic, Molecular Materials, and Environment (LIMOME), Faculty of Sciences Dhar El Mahraz, Sidi Mohammed Ben Abdellah University, Fez 30000, Morocco

Team of Organic Chemistry and Valorization of Natural Substances, Faculty of Sciences, Ibn Zohr University, Agadir 80060, Morocco

Team of Physico-Chimistry of Materials Condensed (PCMC), Faculty of Sciences, My Ismaïl University, Meknès 50000, Morocco

⁴

Laboratoire de Chimie Appliquée des Matériaux (LCAM), Centre des Sciences des Matériaux, Faculty of Science, Mohammed V University in Rabat, Avenue Ibn Batouta, Rabat B.P. 1014, Morocco

Author to whom correspondence should be addressed.

Academic Editor: Rodrigo Abonia

Molbank 2022, 2022(2), M1360; https://doi.org/10.3390/M1360

Received: 27 February 2022 / Revised: 6 April 2022 / Accepted: 7 May 2022 / Published: 10 May 2022

(This article belongs to the Section Structure Determination)

View Full-Text Download PDF

Browse Figures

Review Reports Citation Export

Abstract

We have previously published on a new triazolic phosphonic α-amino ester in position 4 on the triazole ring of a naphthalene ester. The aim of the present paper was to describe its crystallographic study by XRD. The crystal structure of naphthalen-2-yl 1-(benzamido(diethoxyphosphoryl)methyl)-1H-1,2,3-triazole-4-carboxylate was determined by single-crystal X-ray diffraction. This compound crystallizes in the monoclinic system, space group P2₁/c. The naphthalene system is almost planar and makes dihedral angles of 67.1(2)° and 63.9(2)° with the triazole ring and the phenyl cycle, respectively. The phosphorus atom is surrounded by three oxygen atoms and one carbon atom building a distorted tetrahedron. It is also noted, that one of the two ethyl groups is disordered. In the crystal, the molecules are connected through C-H…O and N-H…O hydrogen bonds to build dimers that are linked together by C-H…O hydrogen bonds, in addition to C-H…π interactions. The presence of an intramolecular hydrogen bond contributes to the stability of the molecular conformation by completing the S(5) cycle. View Full-Text

Keywords: α-amino phosphonic ester; crystal structure; hydrogen bonds

▼ Show Figures

Graphical abstract

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited

Supplementary Materials

Supplementary File 1:
ZIP-Document (ZIP, 464 KiB)
Supplementary File 2:
3D structure (MOL, 3 KiB) Display in JSmol Viewer
3D structure generated by CORINA Classic by MN-AM.
Supplementary File 3:
INCHI-Document (INCHI, 2 KiB)
Supplementary File 4:
MOL-Document (MOL, 4 KiB) Display in JSmol Viewer
Supplementary File 5:
3D structure (MOL, 2 KiB) Display in JSmol Viewer
3D structure generated by CORINA Classic by MN-AM.
Supplementary File 6:
INCHI-Document (INCHI, 1 KiB)
Supplementary File 7:
MOL-Document (MOL, 2 KiB) Display in JSmol Viewer
Supplementary File 8:
CIF-Document (CIF, 3190 KiB)
Supplementary File 9:
FCF-Document (FCF, 310 KiB)

Share and Cite

MDPI and ACS Style

Fall, S.A.K.; Hajib, S.; Aouine, Y.; Ouarsal, R.; Alami, A.; El Omari, M.; Assani, A.; Saadi, M.; El Ammari, L. X-ray Structure Determination of Naphthalen-2-yl 1-(Benzamido(diethoxyphosphoryl)methyl)-1H-1,2,3-triazole-4-carboxylate. Molbank 2022, 2022, M1360. https://doi.org/10.3390/M1360

AMA Style

Fall SAK, Hajib S, Aouine Y, Ouarsal R, Alami A, El Omari M, Assani A, Saadi M, El Ammari L. X-ray Structure Determination of Naphthalen-2-yl 1-(Benzamido(diethoxyphosphoryl)methyl)-1H-1,2,3-triazole-4-carboxylate. Molbank. 2022; 2022(2):M1360. https://doi.org/10.3390/M1360

Chicago/Turabian Style

Fall, Serigne A.K., Sara Hajib, Younas Aouine, Rachid Ouarsal, Anouar Alami, Mohamed El Omari, Abderrazzak Assani, Mohamed Saadi, and Lahcen El Ammari. 2022. "X-ray Structure Determination of Naphthalen-2-yl 1-(Benzamido(diethoxyphosphoryl)methyl)-1H-1,2,3-triazole-4-carboxylate" Molbank 2022, no. 2: M1360. https://doi.org/10.3390/M1360

Find Other Styles

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Metrics

Abstract views Pdf views Html views

Article Menu

X-ray Structure Determination of Naphthalen-2-yl 1-(Benzamido(diethoxyphosphoryl)methyl)-1H-1,2,3-triazole-4-carboxylate

Abstract

Supplementary Materials

Share and Cite

Article Metrics

Article Access Statistics

Article Access Map by Country/Region

Further Information

Guidelines

MDPI Initiatives

Follow MDPI