Synthesis, crystal structure, Hirshfeld surface analysis, MEP study and mol­ecular docking of N-{3-[(4-meth­oxy­phen­yl)carbamo­yl]phen­yl}-3-nitro­benzamide as a promising inhibitor of hfXa

. 2020 Oct 20;76(Pt 11):1762–1767. doi: 10.1107/S2056989020013730

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
O1	0.0561 (19)	0.0329 (18)	0.0277 (15)	0.0003 (16)	0.0204 (14)	−0.0033 (15)
O2	0.0502 (18)	0.0226 (18)	0.0357 (17)	−0.0006 (14)	0.0189 (14)	0.0045 (14)
O3	0.0308 (14)	0.0276 (16)	0.0280 (14)	−0.0096 (14)	0.0108 (11)	−0.0054 (13)
O4	0.0270 (13)	0.0223 (15)	0.0321 (14)	0.0074 (12)	0.0132 (11)	0.0065 (13)
O5	0.0359 (15)	0.0235 (16)	0.0254 (14)	−0.0018 (13)	0.0099 (11)	0.0038 (13)
N1	0.0271 (16)	0.0230 (19)	0.0244 (17)	−0.0037 (14)	0.0065 (13)	−0.0036 (15)
N2	0.0203 (14)	0.0194 (17)	0.0210 (14)	−0.0040 (12)	0.0087 (11)	0.0000 (13)
N3	0.0208 (14)	0.0169 (16)	0.0221 (15)	0.0033 (13)	0.0043 (11)	0.0014 (13)
C1	0.0181 (16)	0.023 (2)	0.0190 (17)	−0.0018 (15)	0.0037 (13)	−0.0007 (16)
C2	0.0188 (16)	0.0200 (19)	0.0216 (17)	−0.0012 (15)	0.0027 (13)	−0.0014 (16)
C3	0.0216 (17)	0.021 (2)	0.0215 (18)	−0.0018 (15)	0.0030 (14)	−0.0031 (16)
C4	0.0231 (17)	0.027 (2)	0.0251 (18)	−0.0018 (16)	0.0046 (14)	−0.0064 (18)
C5	0.026 (2)	0.019 (2)	0.034 (2)	0.0037 (16)	0.0035 (16)	−0.0049 (17)
C6	0.0236 (18)	0.017 (2)	0.0263 (19)	−0.0004 (15)	0.0021 (14)	0.0023 (17)
C7	0.0186 (16)	0.023 (2)	0.0218 (17)	0.0017 (16)	0.0039 (13)	0.0038 (16)
C8	0.0151 (16)	0.021 (2)	0.0202 (17)	−0.0026 (14)	0.0022 (13)	−0.0001 (16)
C9	0.0188 (15)	0.0165 (19)	0.0213 (18)	−0.0012 (14)	0.0053 (13)	−0.0019 (16)
C10	0.0156 (15)	0.0189 (19)	0.0227 (18)	−0.0002 (15)	0.0030 (13)	−0.0011 (17)
C11	0.0197 (16)	0.021 (2)	0.0227 (17)	0.0001 (16)	0.0061 (13)	−0.0013 (17)
C12	0.0227 (17)	0.0156 (19)	0.030 (2)	0.0000 (15)	0.0027 (15)	−0.0003 (17)
C13	0.0207 (16)	0.019 (2)	0.0239 (18)	−0.0027 (15)	0.0038 (14)	0.0058 (16)
C14	0.0181 (16)	0.0194 (19)	0.0219 (18)	−0.0013 (15)	0.0018 (13)	−0.0022 (16)
C15	0.0164 (15)	0.020 (2)	0.0189 (17)	−0.0005 (14)	0.0023 (13)	−0.0014 (16)
C16	0.0226 (18)	0.019 (2)	0.0244 (19)	0.0015 (16)	0.0065 (15)	−0.0033 (17)
C17	0.0225 (17)	0.0146 (19)	0.0282 (19)	−0.0001 (15)	0.0045 (14)	0.0008 (17)
C18	0.0202 (17)	0.024 (2)	0.0211 (17)	−0.0045 (15)	0.0015 (14)	0.0017 (17)
C19	0.0290 (19)	0.024 (2)	0.0235 (18)	0.0011 (16)	0.0090 (15)	−0.0035 (17)
C20	0.0258 (18)	0.021 (2)	0.0245 (19)	0.0027 (16)	0.0061 (15)	0.0013 (17)
C21	0.031 (2)	0.030 (2)	0.033 (2)	−0.0023 (19)	0.0060 (17)	0.012 (2)