Homework 4

Due Thursday, Mar. 7, 2019 at 3:15 p.m. EST

Use the paper and compound listed below that corresponds to the last three digits of your student ID number.

Look up the paper and provide the following information about the crystal structure of the indicated compound:

1. The crystal system

2. The space group

3. The unit cell parameters a, b, c, α, β, and γ

4. The density calculated using the x-ray diffraction data

5. The number of molecular units in the unit cell (Z)

433: Lin, et al, J. Am. Chem. Soc., 2019, 141, 3390 – 3394. LiKC3H5N3O5

491: Chen, et al, J. Am. Chem. Soc., 2019, 141, 3394 – 3399. C17H22ClNO

591: Neto, et al, J. Am. Chem. Soc., 2019, 141, 3400 – 3403. CdC8H13N3O5

648: Zhu, et al, J. Am. Chem. Soc., 2019, 141, 3409 – 3413. C27H35ClN2O2

920: Zhu, et al, J. Am. Chem. Soc., 2019, 141, 3409 – 3413. C27H29N2O4.50

971: Zhu, et al, J. Am. Chem. Soc., 2019, 141, 3409 – 3413. C33H36N2O2

 

Answer

433: Lin, et al, J. Am. Chem. Soc., 2019, 141, 3390 – 3394. LiKC3H5N3O5

Crystal system: orthorhombic

Space group: Pna21

Unit cell parameters: a = 15.387 Å; b = 3.6524 Å; c = 12.755 Å; α = 90°; β = 90°; γ = 90°

Density: 1.938 g/cm3

Z: 2

491: Chen, et al, J. Am. Chem. Soc., 2019, 141, 3394 – 3399. C17H22ClNO

Crystal system: orthorhombic

Space group: P212121

Unit cell parameters: a = 6.4416 Å; b = 10.2487 Å; c = 49.282 Å; α = 90°; β = 90°; γ = 90°

Density: 1.191 g/cm3

Z: 8

591: Neto, et al, J. Am. Chem. Soc., 2019, 141, 3400 – 3403. CdC8H13N3O5

Crystal system: monoclinic

Space group: P21/c

Unit cell parameters: a = 7.5660 Å; b = 21.7993 Å; c = 8.4539 Å; α = 90°; β = 117.515°; γ = 90°

Density: 1.846 g/cm3

Z: 4

648: Zhu, et al, J. Am. Chem. Soc., 2019, 141, 3409 – 3413. C27H35ClN2O2

Crystal system: monclinic

Space group: P21

Unit cell parameters: a = 10.8605 Å; b = 8.50510 Å; c = 15.6375 Å; α = 90°; β = 106.459°; γ = 90°

Density: 1.091 g/cm3

Z: 2

920: Zhu, et al, J. Am. Chem. Soc., 2019, 141, 3409 – 3413. C27H29N2O4.50

Crystal system: orthorhombic

Space group: P212121

Unit cell parameters: a = 12.11400 Å; b = 12.97770 Å; c = 14.75780 Å; α = 90°; β = 90°; γ = 90°

Density: 1.298 g/cm3

Z: 4

971: Zhu, et al, J. Am. Chem. Soc., 2019, 141, 3409 – 3413. C33H36N2O2

Crystal system: monoclinic

Space group: P21

Unit cell parameters: a = 7.21026 Å; b = 12.31353 Å; c = 15.41477 Å; α = 90°; β = 96.9925°; γ = 90°

Density: 1.204 g/cm3

Z: 2