European Journal of Chemistry

Phenazine and 10H-phenothiazine cocrystal stabilized by N-H···N and C-H···S hydrogen bonds

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Tahir Mehmood
Bhumiben Chandubhai Patel
Jayarama Prakasha Reddy

Abstract

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)°, = 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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Mehmood, T.; Patel, B. C.; Reddy, J. P. Phenazine and 10H-Phenothiazine Cocrystal Stabilized by N-H···N and C-H···S Hydrogen Bonds. Eur. J. Chem. 2022, 13, 230-233.

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Scheme of Developing High Quality Research (SHODH), Government of Gujarat, India.
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