An official website of the United States government

4-(4-Nitrobenzyl)pyridinium 5-nitrosalicylate

PubChem SID
385900894
Structure
4-(4-Nitrobenzyl)pyridinium 5-nitrosalicylate_small.png
4-(4-Nitrobenzyl)pyridinium 5-nitrosalicylate__Crystal_Structure.png
External ID
Source Category
Research and Development
Version
Status
Live
Related Compounds
PubChem CID
CID 139078840 (4-(4-Nitrobenzyl)pyridinium 5-nitrosalicylate)
Component CID

CID 7318 (5-Nitrosalicylic acid)

CID 14129 (4-[4-Nitrobenzyl]pyridine)

Dates
  • Deposit:
    2019-10-03
  • Modify:
    2023-06-27
  • Available:
    2019-10-03
Description
Please note that the substance record is presented as provided to PubChem by the source (depositor). For standardized chemical structure and/or annotation information, please visit the summary page for CID 139078840.

1 2D Structure

Chemical Structure Depiction
4-(4-Nitrobenzyl)pyridinium 5-nitrosalicylate.png

2 3D Conformer

3 Identity

3.1 Source

3.2 External ID

3.3 Source Category

Research and Development

3.4 Depositor-Supplied Synonyms

3.5 Deposit Date

2019-10-03

3.6 Modify Date

Version 1
Version 2
2023-06-27 (currently shown)

3.7 Available Date

2019-10-03

3.8 Status

Live

4 Depositor Comments

Smith, Graham; Wermuth, Urs D., (2010), 4-(4-Nitrobenzyl)pyridinium 5-nitrosalicylate, Acta Crystallographica Section E, 66, 5, o1173, DOI:10.1107/S1600536810014698

6 Crystal Structures

COD Number
Associated Article
Smith, Graham; Wermuth, Urs D.. 4-(4-Nitrobenzyl)pyridinium 5-nitrosalicylate. Acta Crystallographica Section E 2010;66(5):o1173-. DOI: 10.1107/S1600536810014698
Crystal Structure Depiction
Crystal Structure Depiction
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Space group number
2
a
8.3287 Å
b
10.8219 Å
c
11.3896 Å
α
65.160 °
β
88.286 °
γ
70.553 °
Z
2
Z'
1
Residual factor
0.0502
Component
1 x [O-]C(=O)c1cc(ccc1O)[N+](=O)[O-] (5-Nitrosalicylate)
Component
1 x [O-][N+](=O)c1ccc(cc1)Cc1cc[nH+]cc1 (4-[(4-Nitrophenyl)methyl]pyridin-1-ium)

7 Information Sources

CONTENTS