Methyl 3-[(<i>tert</i>-butoxycarbonyl)amino]benzoate

In the extended structure of the title compound, C<sub>13</sub>H<sub>17</sub>NO<sub>4</sub>, mol-ecular pairs are connected <i>via</i> N-H⋯O and C-H⋯O hydrogen bonds, generating inversion dimers characterized by <i>R</i> <sup>2</sup> <sub>2</sub>(10) graph-set motifs. These dimers further associate through N-H⋯O and C-H⋯O inter-actions, forming supra-molecular layers lying parallel to the (104) crystallographic plane. Aromatic π-π stacking inter-actions and C-H⋯π contacts contribute to the tri-periodic supra-molecular architecture.

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IUCrData
Published
2025-06-24
DOI
https://doi.org/10.1107/s2414314625005425
Primary Topic
Crystallography and molecular interactions
Type
article
Field-Weighted Citation Impact
0.00

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article

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

Murugesan Ponmagaram, K. Muruga Poopathi Raja, Krishnan Saranraj
IUCrData
Crystallography and molecular interactions
article

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

Murugesan Ponmagaram, K. Muruga Poopathi Raja, Krishnan Saranraj
article en

Abstract

In the extended structure of the title compound, C<sub>13</sub>H<sub>17</sub>NO<sub>4</sub>, mol-ecular pairs are connected <i>via</i> N-H⋯O and C-H⋯O hydrogen bonds, generating inversion dimers characterized by <i>R</i> <sup>2</sup> <sub>2</sub>(10) graph-set motifs. These dimers further associate through N-H⋯O and C-H⋯O inter-actions, forming supra-molecular layers lying parallel to the (104) crystallographic plane. Aromatic π-π stacking inter-actions and C-H⋯π contacts contribute to the tri-periodic supra-molecular architecture.

IUCrDataVol. 10(6)
Madurai Kamaraj University (IN), Central University of Kerala (IN)
Department of Biotechnology, Ministry of Science and Technology, India, Madurai Kamaraj University, Central University of Kerala, Science and Engineering Research Board
Openalex Percentile: Top 85%
Crystallography and molecular interactions
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