European Journal of Chemistry 2022, 13(2), 206-213 | doi: | Get rights and content

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Synthesis, characterization and Hirshfeld surface analysis of 2-aminobenzothiazol with 4-fluorobenzoic acid co-crystal

Bubun Banerjee (1) orcid , Varun Sharma (2) orcid , Aditi Sharma (3) orcid , Gurpreet Kaur (4) orcid , Vivek Kumar Gupta (5,*) orcid

(1) Department of Chemistry, Akal University, Talwandi Sabo, Bathinda, Punjab-151302, India
(2) Department of Physics, University of Jammu, Jammu Tawi-180006, India
(3) Department of Chemistry, Akal University, Talwandi Sabo, Bathinda, Punjab-151302, India
(4) Department of Chemistry, Akal University, Talwandi Sabo, Bathinda, Punjab-151302, India
(5) Department of Physics, University of Jammu, Jammu Tawi-180006, India
(*) Corresponding Author

Received: 02 Mar 2022 | Revised: 16 Apr 2022 | Accepted: 26 Apr 2022 | Published: 30 Jun 2022 | Issue Date: June 2022


The co-crystal of 2-aminobenzothiazol with 4-fluorobenzoic acid were synthesized and characterized by elemental analyses, spectral studies (FT-IR, NMR, HRMS) and single-crystal X-ray diffraction analysis. This compound co-crystallizes in the monoclinic space group P21/c (no. 14), a = 11.7869(14) Å, b = 4.0326(5) Å, c = 27.625(3) Å, β = 92.731(10)°, = 1311.6(3) Å3, Z = 4, T = 293(2) K, μ(CuKα) = 2.345 mm-1, Dcalc = 1.470 g/cm3, 3568 reflections measured (7.508° ≤ 2Θ ≤ 134.202°), 2280 unique (Rint = 0.0262, Rsigma = 0.0413) which were used in all calculations. The final R1 was 0.0446 (I > 2σ(I)) and wR2 was 0.1274 (all data). The crystal structure is stabilized by elaborate system of N–H···O and O-H···O hydrogen bonds to form supramolecular structures. Furthermore, the 3D Hirshfeld surfaces and the associated 2D fingerprint plots have been analyzed for molecular interactions.


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European Journal of Chemistry


Co-crystal; X-ray diffraction; Hirshfeld surface; Hydrogen bonding; 4-Fluorobenzoic acid; 2-Aminobenzothiazol

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DOI: 10.5155/eurjchem.13.2.206-213.2234

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Funding information

University of Jammu, Jammu, India, for financial support under Rashtriya Uchchatar Shiksha Abhiyan (RUSA) 2.0 Project. (Ref. No: RUSA/JU/2/2019-20/111/3588-3636).


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How to cite

Banerjee, B.; Sharma, V.; Sharma, A.; Kaur, G.; Gupta, V. Eur. J. Chem. 2022, 13(2), 206-213. doi:10.5155/eurjchem.13.2.206-213.2234
Banerjee, B.; Sharma, V.; Sharma, A.; Kaur, G.; Gupta, V. Synthesis, characterization and Hirshfeld surface analysis of 2-aminobenzothiazol with 4-fluorobenzoic acid co-crystal. Eur. J. Chem. 2022, 13(2), 206-213. doi:10.5155/eurjchem.13.2.206-213.2234
Banerjee, B., Sharma, V., Sharma, A., Kaur, G., & Gupta, V. (2022). Synthesis, characterization and Hirshfeld surface analysis of 2-aminobenzothiazol with 4-fluorobenzoic acid co-crystal. European Journal of Chemistry, 13(2), 206-213. doi:10.5155/eurjchem.13.2.206-213.2234
Banerjee, Bubun, Varun Sharma, Aditi Sharma, Gurpreet Kaur, & Vivek Kumar Gupta. "Synthesis, characterization and Hirshfeld surface analysis of 2-aminobenzothiazol with 4-fluorobenzoic acid co-crystal." European Journal of Chemistry [Online], 13.2 (2022): 206-213. Web. 30 May. 2023
Banerjee, Bubun, Sharma, Varun, Sharma, Aditi, Kaur, Gurpreet, AND Gupta, Vivek. "Synthesis, characterization and Hirshfeld surface analysis of 2-aminobenzothiazol with 4-fluorobenzoic acid co-crystal" European Journal of Chemistry [Online], Volume 13 Number 2 (30 June 2022)

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