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Table 1 Summary of crystallographic data for the target compound

From: Vibrational spectral analysis, XRD-structure, computation, exoendo isomerization and non-linear optical crystal of 5-((5-chloro-1H-indol-2-yl)methylene)-1,3-diethyl-2-thioxodihy-dropyrimidine-4,6 (1H,5H)-dione

Parameters  
Empirical formula C17H16ClN3O2S
Formula weight 361.84
Crystal system, space group Triclinic, P-1
Unit cell dimensions
a, b, c Å 9.1136 (3), 12.7475 (5), 15.6198 (6)
α, γ, β ° 67.0300 (10), 81.2960 (10), 79.0530 (10)
Volume Å3 1634.36 (11) Å3
Z 4
Density (calculated) (Mg m−3) 1.471
Absorption coefficient (mm−1) 0.38
Crystal size (mm) 0.42 × 0.16 × 0.15
θ range for data collection 2.3–25.3
Reflections collected 37,028
Independent reflections 7138
Final [I > 2σ(I)] 0.064
R indices (all data) CCDC 0.0635 1,532,937