Crystal structure, Hirshfeld surface and computational study of 1-(9,10-dioxo-9,10-di­hydroanthracen-1-yl)-3-propano­ylthio­urea

. 2022 Mar 29;78(Pt 4):439–444. doi: 10.1107/S2056989022003127

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
S1	0.0304 (3)	0.0229 (3)	0.0198 (3)	−0.0057 (2)	0.0008 (2)	−0.0018 (2)
O2	0.0358 (9)	0.0158 (7)	0.0170 (7)	−0.0024 (6)	0.0019 (7)	0.0034 (6)
O3	0.0347 (10)	0.0221 (8)	0.0163 (8)	0.0002 (7)	0.0017 (6)	0.0062 (6)
O1	0.0417 (11)	0.0264 (9)	0.0180 (8)	−0.0020 (7)	−0.0021 (7)	−0.0015 (6)
N1	0.0294 (10)	0.0152 (8)	0.0140 (9)	−0.0018 (7)	0.0012 (7)	0.0009 (7)
N2	0.0289 (10)	0.0232 (10)	0.0148 (9)	−0.0010 (8)	−0.0003 (8)	−0.0001 (7)
C12	0.0153 (10)	0.0190 (10)	0.0168 (10)	−0.0003 (8)	−0.0012 (8)	0.0007 (8)
C5	0.0192 (11)	0.0175 (10)	0.0149 (10)	−0.0025 (8)	−0.0018 (8)	0.0025 (8)
C13	0.0142 (10)	0.0199 (10)	0.0165 (10)	−0.0004 (8)	−0.0019 (8)	0.0005 (8)
C10	0.0151 (10)	0.0146 (10)	0.0165 (10)	−0.0016 (7)	−0.0031 (8)	0.0013 (8)
C11	0.0168 (10)	0.0166 (10)	0.0156 (10)	−0.0022 (8)	−0.0032 (8)	0.0005 (8)
C9	0.0138 (10)	0.0178 (10)	0.0162 (10)	−0.0028 (8)	−0.0021 (8)	0.0014 (8)
C6	0.0224 (11)	0.0189 (10)	0.0187 (10)	0.0014 (8)	0.0004 (8)	−0.0010 (8)
C7	0.0240 (11)	0.0146 (10)	0.0239 (11)	0.0015 (9)	−0.0020 (9)	0.0013 (8)
C15	0.0208 (11)	0.0289 (12)	0.0164 (10)	0.0010 (9)	0.0004 (8)	0.0016 (9)
C8	0.0183 (10)	0.0164 (10)	0.0190 (10)	−0.0011 (8)	−0.0024 (8)	0.0042 (8)
C14	0.0158 (10)	0.0202 (10)	0.0156 (10)	−0.0026 (8)	−0.0033 (8)	0.0022 (8)
C18	0.0267 (11)	0.0174 (10)	0.0228 (11)	0.0025 (9)	0.0006 (9)	0.0015 (8)
C2	0.0235 (11)	0.0230 (11)	0.0226 (11)	0.0006 (9)	0.0019 (9)	0.0008 (9)
C17	0.0277 (12)	0.0211 (11)	0.0298 (12)	0.0043 (9)	0.0021 (10)	−0.0033 (9)
C1	0.0205 (11)	0.0218 (11)	0.0185 (10)	0.0013 (8)	0.0006 (8)	0.0017 (8)
C16	0.0258 (12)	0.0293 (12)	0.0212 (11)	0.0037 (9)	0.0028 (9)	−0.0048 (9)
C3	0.0398 (14)	0.0298 (13)	0.0199 (11)	−0.0015 (11)	0.0037 (10)	0.0016 (9)
C4	0.0559 (18)	0.0280 (13)	0.0302 (13)	−0.0085 (12)	0.0012 (12)	0.0085 (10)