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Crystal structures of ethyl {2-[4-(4-iso ­ propyl ­ phen ­ yl)thia ­ zol-2-yl]phen ­ yl}carbamate and ethyl {2-[4-(3-nitro ­ phen ­ yl)thia ­ zol-2-yl]phen ­ yl}carbamate

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ABSTRACT

The title compounds, C21H22N2O2S (I) and C18H15N3O4S (II), are structural analogs of the alkaloid Thio­sporine B. Both mol­ecules adopt a near-planar V-shaped conformation, which is consolidated by intra­molecular N—H⋯N and C—H⋯O hydrogen bonds. The crystal structure of (I) consists of mlecular stacks along the a axis, in which the mol­ecules are linked to each other by π(S)⋯π(C) inter­actions. In the crystal of (II), mol­ecules are linked into chains by C—H⋯O hydrogen bonds and the chains are cross-linked into (100) sheets by π–π stacking inter­actions.

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The hydrogen-bonded chains of (II). Dashed lines indicate the intra­molecular N—H⋯N and C—H⋯O and inter­molecular C—H⋯O hydrogen bonds.
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fig5: The hydrogen-bonded chains of (II). Dashed lines indicate the intra­molecular N—H⋯N and C—H⋯O and inter­molecular C—H⋯O hydrogen bonds.

Mentions: The situation in the case of (II) is quite different. The mol­ecules of (II) form chains via C5—H5⋯O1(−x + , y − 1, z − ) hydrogen bonds (Table 1 ▸, Fig. 5 ▸). It should be pointed out that the mol­ecules within the chains are coplanar, forming a ribbon-like motif. Further, the ribbons are packed in layers parallel to (100) via π–π stacking inter­actions (Fig. 6 ▸). The distance between the ribbons in the layers is 3.216 (3) Å. Importantly, the ribbons of adjacent layers are not parallel to each other, but disposed at an inter­plane angle of 39.91 (2)° (Fig. 6 ▸). Thus, the crystal of (II) comprises alternating layers, in which mol­ecules are arranged in a different manner.


Crystal structures of ethyl {2-[4-(4-iso ­ propyl ­ phen ­ yl)thia ­ zol-2-yl]phen ­ yl}carbamate and ethyl {2-[4-(3-nitro ­ phen ­ yl)thia ­ zol-2-yl]phen ­ yl}carbamate
The hydrogen-bonded chains of (II). Dashed lines indicate the intra­molecular N—H⋯N and C—H⋯O and inter­molecular C—H⋯O hydrogen bonds.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC5120716&req=5

fig5: The hydrogen-bonded chains of (II). Dashed lines indicate the intra­molecular N—H⋯N and C—H⋯O and inter­molecular C—H⋯O hydrogen bonds.
Mentions: The situation in the case of (II) is quite different. The mol­ecules of (II) form chains via C5—H5⋯O1(−x + , y − 1, z − ) hydrogen bonds (Table 1 ▸, Fig. 5 ▸). It should be pointed out that the mol­ecules within the chains are coplanar, forming a ribbon-like motif. Further, the ribbons are packed in layers parallel to (100) via π–π stacking inter­actions (Fig. 6 ▸). The distance between the ribbons in the layers is 3.216 (3) Å. Importantly, the ribbons of adjacent layers are not parallel to each other, but disposed at an inter­plane angle of 39.91 (2)° (Fig. 6 ▸). Thus, the crystal of (II) comprises alternating layers, in which mol­ecules are arranged in a different manner.

View Article: PubMed Central - HTML - PubMed

ABSTRACT

The title compounds, C21H22N2O2S (I) and C18H15N3O4S (II), are structural analogs of the alkaloid Thio­sporine B. Both mol­ecules adopt a near-planar V-shaped conformation, which is consolidated by intra­molecular N—H⋯N and C—H⋯O hydrogen bonds. The crystal structure of (I) consists of mlecular stacks along the a axis, in which the mol­ecules are linked to each other by π(S)⋯π(C) inter­actions. In the crystal of (II), mol­ecules are linked into chains by C—H⋯O hydrogen bonds and the chains are cross-linked into (100) sheets by π–π stacking inter­actions.

No MeSH data available.