Compound 1

Compound 2

Crystal system,

Orthorhombic

Triclinic

a = 5.2177 (6) Å alpha = 90.00 deg

a = 9.2380 (10) Å alpha = 102.004 (1) deg

Unit cell dimensions

b = 13.903 (2) Å beta = 90.00 deg

b = 9.8790 (10) Å beta = 92.356 (1) deg

c = 21.121 (2) Å gamma = 90.00 deg

c = 12.6360 (10) Å gamma = 90.779 (1) deg

Volume

1532.2 (3) Å3

1126.7 (2) Å3

Z, calculated density

4, 1.259 mg/m3

2, 1.423 mg/m3

Absorption coefficient

0.080 mm−1

0.446 mm−1

Space group

P212121

P-1

Limiting indices

−6 ≤ h ≤ 6, −18 ≤ k ≤ 17, −27 ≤ l ≤ 27

−11 ≤ h ≤ 11, −11 ≤ k ≤ 11, −15 ≤ l ≤ 15

Reflections collected/unique

15398/3527 [R (int) = 0.0965]

12751/4131 [R (int) = 0.0346]

Completeness to theta = 25.10

99.90%

99.90%

Max. and min. transmission

0.9941 and 0.9745

0.9304 and 0.8937

Goodness-of-fit on F2

0.981

0.963

Extinction coefficient

None

None

Largest diff. peak and hole

0.141 and −0.115 e. Å−3

0.357 and −0.300 e. Å−3