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Phenazine and 10H-phenothiazine cocrystal stabilized by N-H···N and C-H···S hydrogen bonds
Tahir Mehmood (1) , Bhumiben Chandubhai Patel (2) , Jayarama Prakasha Reddy (3,*)
(1) Department of Chemistry, School of Sciences, Indrashil University, Rajpur, Gujarat 382740, India
(2) Department of Chemistry, School of Sciences, Indrashil University, Rajpur, Gujarat 382740, India
(3) Department of Chemistry, School of Sciences, Indrashil University, Rajpur, Gujarat 382740, India
(*) Corresponding Author
Received: 09 Mar 2022 | Revised: 23 Apr 2022 | Accepted: 27 Apr 2022 | Published: 30 Jun 2022 | Issue Date: June 2022
A 1:1 co-crystal of phenazine and phenothiazine was prepared. The crystal structure was determined by using a single crystal X-ray crystallography technique. Analysis of the crystal revealed that the molecular complex crystallizes in monoclinic P21/n space group, C12H8N2·C12H9NS, a = 9.068(2) Å, b = 8.872(2) Å, c = 23.935(4) Å, β = 92.16(4)°, V = 1924.1(6) Å3, Z = 4, T = 293(2) K, μ(MoKα) = 0.182 mm-1, Dcalc = 1.310 g/cm3, 8057 reflections measured (3.4° ≤ 2Θ ≤ 46.54°), 2751 unique (Rint = 0.0559, Rsigma = 0.0618) which were used in all calculations. The final R1 was 0.0548 (>2sigma(I)) and wR2 was 0.1029 (all data). The molecules recognize each other through N-H···N and C-H···N hydrogen bonds, thus producing a tetramer unit. These units further interact with one another via C-H···S hydrogen bonds.
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DOI Link: https://doi.org/10.5155/eurjchem.13.2.230-233.2256
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