2-[(1E)-({[(Benzyl­sulfan­yl)methane­thio­yl]amino}­imino)­meth­yl]-6-meth­oxy­phenol: crystal structure and Hirshfeld surface analysis

نویسندگان

  • Enis Nadia Md Yusof
  • Mukesh M. Jotani
  • Edward R. T. Tiekink
  • Thahira B. S. A. Ravoof
چکیده

The title di-thio-carbazate ester, C16H16N2O2S2, comprises two almost planar residues, i.e. the phenyl ring and the remaining 14 non-H atoms (r.m.s. deviation = 0.0410 Å). These are orientated perpendicularly, forming a dihedral angle of 82.72 (5)°. An intra-molecular hy-droxy-O-H⋯N(imine) hydrogen bond, leading to an S(6) loop, is noted. An analysis of the geometric parameters is consistent with the mol-ecule existing as the thione tautomer, and the conformation about the C=N bond is E. The thione S and imine H atoms lie to the same side of the mol-ecule, facilitating the formation of inter-molecular N-H⋯S hydrogen bonds leading to eight-membered {⋯HNCS}2 synthons in the crystal. These aggregates are connected by phenyl-C-H⋯O(hy-droxy) inter-actions into a supra-molecular layer in the bc plane; these stack with no directional inter-actions between them. An analysis of the Hirshfeld surface confirms the nature of the inter-molecular inter-actions.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

2-[({2-[(2-Hy­droxy-5-meth­oxy­benzyl­idene)amino]­eth­yl}imino)­meth­yl]-4-meth­oxy­phenol

The asymmetric unit of the title compound, C(18)H(20)N(2)O(4), contains one-half mol-ecule with an inversion center located at the centroid of the mol-ecule. In the crystal, mol-ecules are linked by C-H⋯π inter-actions, forming layers parallel to (101). An intra-molecular O-H⋯N hydrogen bond also occurs.

متن کامل

Zwitterionic 1-{(1E)-[(4-hy­droxy­phen­yl)iminio]meth­yl}naphthalen-2-olate: crystal structure and Hirshfeld surface analysis

The title zwitterion, C17H13NO2 (systematic name: 1-{(1E)-[(4-hy-droxy-phen-yl)iminium-yl]meth-yl}naphthalen-2-olate), features an intra-molecular charge-assisted N+-H⋯O- hydrogen bond. A twist in the mol-ecule is evident around the N-C(hy-droxy-benzene) bond [C-N-C-C torsion angle = 39.42 (8)°] and is reflected in the dihedral angle of 39.42 (8)° formed between the aromatic regions of the mol-...

متن کامل

2-{(1E)-1-[(3-{(E)-[1-(2-Hy­droxy-4-meth­oxy­phen­yl)ethyl­idene]amino}-2,2-di­methyl­prop­yl)imino]­eth­yl}-5-meth­oxy­phenol

Mol-ecules of the title compound, C(23)H(30)N(2)O(4), are located on a crystallographic mirror plane. The mol-ecule has a curved shape with the dihedral angle formed between the two benzene rings being 55.26 (5)°. Intra-molecular O-H⋯N hydrogen bonds are noted. In the crystal, supra-molecular layers are formed in the ac plane owing to the presence of C-H⋯π inter-actions.

متن کامل

Crystal structures of salen-type ligands 2-[(1E)-({1-(3-chloro­phen­yl)-2-[(E)-(2-hy­droxy­benzyl­idene)amino]­prop­yl}imino)­meth­yl]phenol and 2-[(1E)-({1-(4-chloro­phen­yl)-2-[(E)-(2-hy­droxy­benzyl­idene)amino]­prop­yl}imino)­meth­yl]phenol

The title compounds, C23H21ClN2O2, differ from each other only by the position of the Cl atom on the corresponding benzene ring: meta relative to the central sp3 C atom for (I) and para for (II). In (I), the hy-droxy-phenyl rings are almost parallel, the dihedral angle between the mean planes being 9.2 (2)°, but in (II), the relative position of the ring is different, characterized by a dihedra...

متن کامل

Zwitterionic 4-bromo-6-meth­oxy-2-{[tris­(hy­droxy­meth­yl)methyl]­iminiumyl­meth­yl}phenolate: crystal structure and Hirshfeld surface analysis

In the solid state, the title compound, C12H16BrNO5 [systematic name: 4-bromo-2-((1E)-{[1,3-dihy-droxy-2-(hy-droxy-meth-yl)propan-2-yl]iminium-yl}meth-yl)-6-meth-oxy-benzen-1-olate], C12H16BrNO5, is found in the keto-amine tautomeric form, with an intra-molecular iminium-N-H⋯O(phenolate) hydrogen bond and an E conformation about the C=N bond. Both gauche (two) and anti relationships are found f...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره 72  شماره 

صفحات  -

تاریخ انتشار 2016