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Table 1 The representation of hydrogen-bond geometry (Å, º) of the synthesized Compound

From: Synthesis, DFT and molecular docking of novel (Z)-4-bromo-N-(4-butyl-3 (quinolin-3-yl)thiazol-2(3H)-ylidene)benzamide as elastase inhibitor

D–H···A

D–H

H···A

D···A

D–H···A

C20–H20A···N3ii

0.99

2.53

3.489 (3)

163

C21–H21B···Cg2iii

0.99

2.90

3.760(2)

149

C12–H12···O1i

0.95

2.29

3.227 (2)

171

  1. Codes for symmetrical arrangements include (i) x + 1, y + 1, z + 1; (ii) x + 1, y + 2, z + 1; and (iii) 1 − x, 1 − y, 1 − z > . Cg2 is the center of attention in ring B (C5–C10)
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BMC Chemistry

ISSN: 2661-801X

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