Methyl 3-[(tert-butoxycarbonyl)amino]benzoate

Methyl 3-[(tert-butoxycarbonyl)amino]benzoate

In the extended structure of the title compound, C13H17NO4, molecular pairs are connected via N—H...O and C—H...O hydrogen bonds, generating inversion dimers characterized by R22(10) graph-set motifs. These dimers further associate through N—H...O and C—H...O interactions, forming supramolecular lay...

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Bibliographic Details
Main Authors: Murugesan Ponmagaram, Krishnan Saranraj, Karuppiah Muruga Poopathi Raja
Format: Article
Language:English
Published: International Union of Crystallography 2025-06-01
Series:IUCrData
Subjects:
crystal structure
aromatic γ-amino acid
meta-amino benzoic acid
Online Access:https://journals.iucr.org/paper?S2414314625005425
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Summary:In the extended structure of the title compound, C13H17NO4, molecular pairs are connected via N—H...O and C—H...O hydrogen bonds, generating inversion dimers characterized by R22(10) graph-set motifs. These dimers further associate through N—H...O and C—H...O interactions, forming supramolecular layers lying parallel to the (104) crystallographic plane. Aromatic π–π stacking interactions and C—H...π contacts contribute to the tri-periodic supramolecular architecture.
ISSN:2414-3146

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