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Table 2 Hydrogen-bond geometry (Å, º) for (1)

From: Synthesis, crystal structure, Hirshfeld surface investigation and comparative DFT studies of ethyl 2-[2-(2-nitrobenzylidene)hydrazinyl]thiazole-4-carboxylate

D—H···A

D—H

H···A

D···A

D—H···A

N3—H3A···O3i

0.86

2.03

2.860 (3)

161

C5—H5···N2

0.93

2.44

2.764 (4)

101

C7—H7···O2

0.93

2.28

2.812 (4)

116

C12—H12A···O3

0.97

2.30

2.679 (5)

102

C9—H9···N4ii

0.93

2.58

3.502 (4)

171

C3—H3···O1iii

0.93

2.55

3.432 (4)

159

  1. Symmetry codes: (i) − x, y − 1/2, − z − 1/2; (ii) − x, y + 1/2, − z − 1/2; (iii) − x + 1, y + 1/2, − z + 3/2
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BMC Chemistry

ISSN: 2661-801X

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