Ranitidine hydrochloride, a polymorphic crystal form

This material is Open Knowlege

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Publisher: Acta Crystallographica
Journal: Section C
Year/Issue: 2000/08-00

Article (via DOI): 10.1107/S010827010000785X
Compound Class:organic
Date Recorded:2000-02-07

Contact Author: Dr. Andrew Hempel
e-mail: andrew.hempel@utoronto.ca

Data collection parameters

Chemical formula sumC13H23ClN4O3S
Chemical formula moiety(C13H23N4O3S1+)(Cl-1)
Crystal systemMonoclinic
Space group H-MP 21/n
Space group Hall
Data collection temperature100.0

Refinement results

R Factor (Obs)0.0416
R Factor (All)0.0785
Weighted R Factor (Obs)
Weighted R Factor (All)0.1304

Available Resources

Crystal Components

Moieties

Result files

Raw CML
Complete CML
CIF (cached / original)

Validation

CheckCIF

Images

Ellipsoid

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b:


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InChI:

InChI=1/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9-;

SMILES:

[Cl-].[H]C=1C([H])=C(OC=1C([H])([H])[N+]([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])SC([H])([H])C([H])([H])N([H])C(=C([H])[N+](=O)[O-])N([H])C([H])([H])[H]