Journal of Chemistry / 2014 / Article / Tab 3 / Research Article
Synthesis, Single Crystal X-Ray Structure, and Antimicrobial Activity of 6-(1,3-Benzodioxol-5-ylmethyl)-5-ethyl-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}pyrimidin-4(3H )-one Table 3 Selected geometric parameters (Å, °) for one molecule.
S1A–C14A 1.7546 (18) O3C–C13C 1.244 (2) S1A–C15A 1.8062 (18) O4C–C18C 1.431 (2) O1A–C2A 1.377 (2) N2A–C13A 1.380 (2) O1A–C3A 1.421 (3) N3A–C17A 1.463 (2) O2A–C4A 1.383 (2) N3A–C20A 1.469 (2) O2A–C3A 1.432 (3) N3A–C16A 1.466 (2) O3A–C13A 1.241 (2) N1B–C9B 1.380 (2) O4A–C18A 1.425 (2) N1B–C14B 1.295 (2) O4A–C19A 1.425 (2) N2B–C14B 1.365 (2) C14A–S1A–C15A 101.81 (8) N3A–C17A–C18A 110.66 (17) C2A–O1A–C3A 105.29 (15) N3A–C20A–C19A 109.97 (14) C3A–O2A–C4A 104.85 (15) O1B–C2B–C1B 128.33 (17) C18A–O4A–C19A 109.78 (13) O1B–C2B–C4B 109.39 (15) C9A–N1A–C14A 116.61 (14) O3B–C13B–N2B 119.86 (15) C13A–N2A–C14A 122.13 (14) N2B–C13B–C10B 115.59 (15) C16A–N3A–C17A 108.97 (14) S1B–C14B–N1B 121.81 (13) C17A–N3A–C20A 108.05 (13) N1B–C14B–N2B 124.00 (16) C16A–N3A–C20A 110.73 (13) S1B–C14B–N2B 114.19 (12) O1A–C2A–C4A 110.00 (15) O2C–C4C–C2C 109.89 (15) O1A–C2A–C1A 127.51 (18) N1C–C9C–C8C 112.44 (14) O1A–C3A–O2A 108.23 (15) N1C–C9C–C10C 123.70 (15) O2A–C4A–C2A 109.69 (16) O3C–C13C–C10C 124.24 (16) O2A–C4A–C5A 128.57 (18) O3C–C13C–N2C 119.71 (15) N1A–C9A–C10A 123.90 (15) N2C–C13C–C10C 116.05 (15) N1A–C9A–C8A 112.67 (14) S1C–C14C–N2C 113.52 (12) O3A–C13A–N2A 119.66 (15) S1C–C14C–N1C 122.83 (13) N2A–C13A–C10A 115.36 (15) N1C–C14C–N2C 123.65 (16) O3A–C13A–C10A 124.97 (16) S1C–C15C–C16C 112.16 (13) S1A–C14A–N1A 122.83 (13) N3C–C16C–C15C 113.16 (15) S1A–C14A–N2A 113.20 (12) N3C–C17C–C18C 111.34 (16) N1A–C14A–N2A 123.97 (16) O4C–C18C–C17C 111.12 (14) S1A–C15A–C16A 111.98 (13) O4C–C19C–C20C 111.83 (16) N3A–C16A–C15A 112.40 (15) N3C–C20C–C19C 110.99 (14)