TY - JOUR
T1 - Conformational analysis of two new organotin(IV) structures completed with a CSD survey
AU - Sabbaghi, Fahimeh
AU - As'habi, Azam
AU - Saneei, Anahid
AU - Pourayoubi, Mehrdad
AU - Abdul Salam, Abdul Ajees
AU - Nečas, Marek
AU - Dušek, Michal
AU - Kučeráková, Monika
AU - Acharya, Sudarshan
N1 - Funding Information:
The authors acknowledge the use of instruments of the CzechNanoLab Research Infrastructure supported by MEYS CR and the Czech Science Foundation. AAAS acknowledges an intramural research grant provided by MAHE.
Funding Information:
Funding for this research was provided by: Manipal Academy of Higher Education (grant No. MAHE/DREG/PhD/IMF/ 2019 to AAAS and SA); Czech Science Foundation (award No. 18-10438S to MD); MEYS CR (award No. LM2018110 to MD and MK).
Publisher Copyright:
© 2021 BMJ Publishing Group. All rights reserved.
Copyright:
Copyright 2021 Elsevier B.V., All rights reserved.
PY - 2021/2/1
Y1 - 2021/2/1
N2 - The conformational flexibilities are studied in two new organotin(IV) complexes, namely, trans-dichloridodimethylbis[N,N′,N′′-tris(2-chlorobenzyl)phosphoric triamide]tin(IV), [Sn(CH3)2(C21H21Cl3N3OP)2Cl2] or Sn(CH3)2Cl2{OP[NHCH2C6H4(2-Cl)]3}2, (I), and bis(dipropylammonium) tetrachloridodimethylstannate(IV), [(CH3CH2CH2)2NH2]2[Sn(CH3)2Cl4], (II), and their analogous structures from the Cambridge Structural Database (CSD). The conformations are considered based on the N - P=O - Sn torsion angles for (I) and the C - C - C - N, C - C - N - C, C - N - C - C and N - C - C - C torsion angles for the two symmetry-independent [CH3CH2CH2NH2CH2CH2CH3]+cations in (II), and the ±ac±sp±ac (ac = anticlinal and sp = synperiplanar) and ±ap±ap±ap±ap (ap = antiperiplanar) conformations are observed, respectively. In both structures, the four atoms in the corners of the square-planar segment of the octahedral shape around the Sn atom participate in normal hydrogen-bonding interactions as acceptors, which include two O and two Cl atoms for (I), and four Cl atoms for (II). However, the phosphoric triamide ligands block the environment around the Sn atom and limit the hydrogen-bond pattern to form a supramolecular ribbon assembly, while in the presence of small organic cations in (II), a two-dimensional hydrogen-bonded architecture is achieved. The weak interactions π-π, C - H⋯π and C - Cl⋯π in (I), and C - H⋯Cl in (II) do not change the dimensionality of the hydrogen-bond pattern. The 62 CSD structures analogous to (I), i.e. with an SnOPN3segment (including 83 entries) fall into four categories of conformations based on the N - P=O - Sn torsion angles. The 132 [(CH3CH2CH2)2NH2]+cations from 85 CSD structures are classified into seven groups based on the torsion angles noted for (II). Most of the CSD structures adopt the same associated conformations noted for (I) and (II). 15 [Sn(CH3)2Cl4]2-anions extracted from the CSD are compared with the structure of (II).
AB - The conformational flexibilities are studied in two new organotin(IV) complexes, namely, trans-dichloridodimethylbis[N,N′,N′′-tris(2-chlorobenzyl)phosphoric triamide]tin(IV), [Sn(CH3)2(C21H21Cl3N3OP)2Cl2] or Sn(CH3)2Cl2{OP[NHCH2C6H4(2-Cl)]3}2, (I), and bis(dipropylammonium) tetrachloridodimethylstannate(IV), [(CH3CH2CH2)2NH2]2[Sn(CH3)2Cl4], (II), and their analogous structures from the Cambridge Structural Database (CSD). The conformations are considered based on the N - P=O - Sn torsion angles for (I) and the C - C - C - N, C - C - N - C, C - N - C - C and N - C - C - C torsion angles for the two symmetry-independent [CH3CH2CH2NH2CH2CH2CH3]+cations in (II), and the ±ac±sp±ac (ac = anticlinal and sp = synperiplanar) and ±ap±ap±ap±ap (ap = antiperiplanar) conformations are observed, respectively. In both structures, the four atoms in the corners of the square-planar segment of the octahedral shape around the Sn atom participate in normal hydrogen-bonding interactions as acceptors, which include two O and two Cl atoms for (I), and four Cl atoms for (II). However, the phosphoric triamide ligands block the environment around the Sn atom and limit the hydrogen-bond pattern to form a supramolecular ribbon assembly, while in the presence of small organic cations in (II), a two-dimensional hydrogen-bonded architecture is achieved. The weak interactions π-π, C - H⋯π and C - Cl⋯π in (I), and C - H⋯Cl in (II) do not change the dimensionality of the hydrogen-bond pattern. The 62 CSD structures analogous to (I), i.e. with an SnOPN3segment (including 83 entries) fall into four categories of conformations based on the N - P=O - Sn torsion angles. The 132 [(CH3CH2CH2)2NH2]+cations from 85 CSD structures are classified into seven groups based on the torsion angles noted for (II). Most of the CSD structures adopt the same associated conformations noted for (I) and (II). 15 [Sn(CH3)2Cl4]2-anions extracted from the CSD are compared with the structure of (II).
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U2 - 10.1107/S2053229620016502
DO - 10.1107/S2053229620016502
M3 - Article
C2 - 33536369
AN - SCOPUS:85100513187
SN - 2053-2296
VL - 77
SP - 68
EP - 80
JO - Acta crystallographica. Section C, Structural chemistry
JF - Acta crystallographica. Section C, Structural chemistry
ER -