Compound

6

10

13

15

23

Crystal Dimension/mm

0.07 × 0.13 × 0.25

09 × 0.13 × 0.19

0.10 × 0.20 × 0.34

0.20 × 0.20 × 0.20

0.10 × 0.25 × 0.25

Crystal Color and Shape

Light colorless, block-like

Lightcolorless, block-like

Lightcolorless, block-like

Colorless, Prism

Colorless, block like

Formula weight

C14H15N3O2S2

C13H13N3O2S2

C19H15N3O4S2

C15H17N3O3S2

C15H15N3O5S2

Crystal system

Triclinic

Monoclinic

Triclinic

Triclinic

Triclinic

Space group

P-1

P 121/c 1

P-1

P-1

P-1

T/K

296

296

296

296

296

a/Å

7.8168 (5)

12.5590 (7)

7.5866 (6)

7.646 (2)

7.7601 (5)

b//Å

8.6997 (6)

29.3421 (17)

11.5021 (9)

10.020 (2)

10.5935 (6)

c/Å

11.6038 (7)

7.9023 (5)

11.7568 (9)

11.640 (2)

12.6829 (9)

a/deg

88.409 (3)

90

99.111 (2)

72.136 (5)

65.372 (5)

b/deg

73.837 (3)

93.870 (3)

106.564 (3)

77.211 (6)

72.296 (5)

g/deg

82.013 (3)

90

102.689 (3)

78.761 (6)

78.930 (6)

V/Å3

750.51 (8)

2905.4 (3)

932.16 (13)

820.0 (2)

900.3 (1)

Z

2

8

2

2

2

m/mm−1

3.287

3.371

2.874

3.421

3.240

rcalcd/g・cm−3

1.422

1.405

1.473

1.423

1.403

Thetamax/deg

61.15

66.66

66.28

25.00

26.35

Reflections collected

3851

14154

11244

6464

8085

Unique reflections

2218

4962

3177

2870

3645

Rint

0.0170

0.0276

0.0353

0.0481

0.0244

R (I > 2s)

0.0346

0.0425

0.0357

0.0664

0.0679

R (all data)

0.0355

0.0501

0.0361

0.1071

0.0972

Rw (all data)

0.1005

0.1392

0.0937

0.2302

0.2426

Peak max/e Å3

0.234

0.391

0.250

0.45

0.93