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strychninium-5-nitrosalicylate-5-nitrosalicylic acid (1/1/2)

PubChem SID
385872177
Structure
strychninium-5-nitrosalicylate-5-nitrosalicylic acid (1/1/2)_small.png
strychninium-5-nitrosalicylate-5-nitrosalicylic acid (1/1/2)__Crystal_Structure.png
External ID
Source Category
Research and Development
Version
Status
Live
Related Compounds
PubChem CID
CID 139059674 (Strychninium 5-nitrosalicylate bis(5-nitrosalicylic acid))
Component CID

CID 7318 (5-Nitrosalicylic acid)

CID 441071 (Strychnine)

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 139059674.

1 2D Structure

Chemical Structure Depiction
strychninium-5-nitrosalicylate-5-nitrosalicylic acid (1/1/2).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

Graham Smith; Urs D. Wermuth; Jonathan M. White, (2005), The proton-transfer compounds of strychnine with achiral salicylic acids: strychninium 3,5-dinitrosalicylate and the strychninium 5-nitrosalicylate bis(5-nitrosalicylic acid) adduct, Acta Crystallographica Section C, 61, 7, o464-o468, DOI:10.1107/S0108270105018226

6 Crystal Structures

COD Number
Associated Article
Graham Smith; Urs D. Wermuth; Jonathan M. White. The proton-transfer compounds of strychnine with achiral salicylic acids: strychninium 3,5-dinitrosalicylate and the strychninium 5-nitrosalicylate bis(5-nitrosalicylic acid) adduct. Acta Crystallographica Section C 2005;61(7):o464-o468. DOI: 10.1107/S0108270105018226
Crystal Structure Depiction
Crystal Structure Depiction
Hermann-Mauguin space group symbol
P 1 21 1
Hall space group symbol
P 2yb
Space group number
4
a
7.5762 Å
b
12.3729 Å
c
20.891 Å
α
90.00 °
β
97.960 °
γ
90.00 °
Z
2
Z'
1
Residual factor
0.0635
Component
1 x O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CC[N@H+]([C@H]1C4)C3 (Strychnine(1+))
Component
1 x [O-]C(=O)c1cc(ccc1O)[N+](=O)[O-] (5-Nitrosalicylate)
Component
2 x [O-][N+](=O)c1ccc(c(c1)C(=O)O)O (5-Nitrosalicylic acid)

7 Information Sources

CONTENTS