Space Group Approximation of a Molecular Crystal by Classifying Molecules for Their Electric Potentials and Roughness on Their Inertial Ellipsoid Surface

Table 3

The 31 molecules selected for the present work, with the CSD codes.

Compound	R3	R4	R5
(1) BENSES	(a)	CN	H
(2) BEWLEU	(b)	COOMe	COOMe
(3) BIWWEJ	Ph	H	diMe-NH-CH2-Ph
(4) FAQROE	COOEt	H	H
(5) FAQSAR	COOEt	H	Me
(6) FAQSEV	COOEt	Me	H
(7) FAQSOF	COOEt	Ph	H
(8) FAQSUL	COOEt	Br	H
(9) FAQTAS	COOEt	Br	Me
(10) GISZIR	Me	CN	NH-Ph-4-CF3
(11) HDMPYZ	H	(c)	Me
(12) HEPHUF	H	CH2-4-pz	H
(13) HEPJAN	Me	CH2-3,5-diMe-4-pz	Me
(14) HEPJER	3-pz	H	H
(15) HIWJIG	H	NH2	H
(16) HIWJIG01	H	NH2	H
(17) KOSFUT	H	O-Si(2tBuOH)	C(tBuO)
(18) LEVVAJ	(d)	H	H
(19) MBCPAZ	Me	Br	C(O)(NH2)
(20) PAZDPY	N=N^+=N^−	Ph	H
(21) POYXUW	NH-COPh	H	Br
(22) PYRZAL10	CH2-C(COO^−)()	H	H
(23) RIVBAZ	tBu	N=O	tBu
(24) RUPRID	NH2	H	Ph
(25) RUPSEA	Ph-4-NO2	H	NH2
(26) TAXLOT	NH-CH-C(e)(COOEt)	H	H
(27) TEHQAY	H	H	3,5-dimethoxyph
(28) VAXLAH	(f)	COOMe	COOMe
(29) VEHCOA	H	NO2	SiMe3
(30) WILBAU	tBu	NO2	tBu
(31) YAXZOM	(g)	Me	(g)