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Crystal Structure of N, N'‐Bis(3‐(o‐dimethylaminoimino‐ethyl) ‐2‐hydroxy‐5‐methyl)‐benzylpiperazine
Author(s) -
Thirumurugan R.,
Vengadesan K.,
Shanmuga Sundara Raj S.,
Shanmugam G.,
Fun H.K.
Publication year - 2000
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/1521-4079(200008)35:8<987::aid-crat987>3.0.co;2-j
Subject(s) - piperazine , monoclinic crystal system , ring (chemistry) , dihedral angle , hydrogen bond , chemistry , crystallography , molecule , crystal structure , intramolecular force , cyclohexane conformation , stereochemistry , organic chemistry
The structure of the synthesized title compound, C 30 H 46 N 6 O 2 , was solved by using X‐ray diffraction techniques. The compound crystallized in monoclinic space group P2 1 /n with cell dimensions a = 14.0629(7), b = 6.5696(3), c = 17.7948(8)Å, β = 111.35(2)°, V = 1531.2(1)Å 3 , Z = 2, D cal = 1.134 Mgm ‐3 and T = 293(2)K. The molecule possesses a center of symmetry, and hence, there is half a molecule in the asymmetric unit. The piperazine ring adopts chair conformation with the substituents at the equatorial position, subtending a dihedral angle of 88.87(1)° with the phenyl ring. The phenyloxy hydrogen is involved in an intramolecular O‐H...N type of hydrogen bond.