Crystal Growth,Structure and Morphology of Rifapentine Methanol Solvate

周堃; 李军; 罗建洪; 金央

doi:10.1016/S1004-9541(11)60224-3

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Crystal Growth,Structure and Morphology of Rifapentine Methanol Solvate

香港科技大学化学与生物分子工程系戈登·麦凯教授退休纪念专刊 | Updated：2026-01-06

- Crystal Growth,Structure and Morphology of Rifapentine Methanol Solvate
- Crystal Growth,Structure and Morphology of Rifapentine Methanol Solvate
- 中国化学工程学报（英文版） 2012年20卷第3期页码：602-607
- Affiliations：
  
  1. College of Materials and Chemical Engineering & Chemistry, Chengdu University of Technology,Chengdu,China,610059
  2. College of Chemical Engineering, Sichuan University,Chengdu,China,610065
- Author bio：
- Funds：
- DOI：10.1016/S1004-9541(11)60224-3
  中图分类号：
- 纸质出版：2012
- Accepted：
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周堃, 李军, 罗建洪, 等. Crystal Growth,Structure and Morphology of Rifapentine Methanol Solvate[J]. 中国化学工程学报（英文版）, 2012,20(3):602-607.

ZHOU Kun, LI Jun, LUO Jianhong, JIN Yang. Crystal Growth,Structure and Morphology of Rifapentine Methanol Solvate[J]. , 2012, 20(3): 602-607.
周堃, 李军, 罗建洪, 等. Crystal Growth,Structure and Morphology of Rifapentine Methanol Solvate[J]. 中国化学工程学报（英文版）, 2012,20(3):602-607. DOI： 10.1016/S1004-9541(11)60224-3.

ZHOU Kun, LI Jun, LUO Jianhong, JIN Yang. Crystal Growth,Structure and Morphology of Rifapentine Methanol Solvate[J]. , 2012, 20(3): 602-607. DOI： 10.1016/S1004-9541(11)60224-3.

摘要

Abstract

Rifapentine

an important antibiotic

was crystallized from methanol solvent in the form of its methanol solvate.The crystal structure of rifapentine methanol solvate belongs to monoclinic

space group P2

with the unit cell parameters of

=1.2278(3) nm

=1.9768(4) nm

=1.2473(3) nm

and

=112.35(3)°.The parallelepiped morphology was also predicted by Materials Studio simulation program.The influence of intermolecular interaction was taken into account in the attachment energy model.The crystal shape fits the calculated morphology well

which was performed on the potential energy minimized model using a generic DREIDING 2.21 force field and developed minimization protocol with derived partial charges.

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