strychninium-5-nitrosalicylate-5-nitrosalicylic acid (1/1/2)
PubChem SID
385872177
Structure
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.
Chemical Structure Depiction
Research and Development
2019-10-03
Version 1
Version 2
2023-06-27 (currently shown)
2019-10-03
Live
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
PubChem CID
CID 139059674 (Strychninium 5-nitrosalicylate bis(5-nitrosalicylic acid))
Component CID
CID 7318 (5-Nitrosalicylic acid)
CID 441071 (Strychnine)
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
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)
CONTENTS