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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 crystal structure of (I). Dashed lines indicate the intra­molecular N—H⋯N and C—H⋯O hydrogen bonds.
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fig3: The crystal structure of (I). Dashed lines indicate the intra­molecular N—H⋯N and C—H⋯O hydrogen bonds.

Mentions: In (I), the crystal packing consists of stacks along the a axis (Fig. 3 ▸), in which the mol­ecules are linked to each other by π(S1)⋯π(C7) [1 + x, y, z] inter­actions at distances of 3.463 (3) Å (Fig. 4 ▸). No other directional inter­molecular inter­actions are observed in (I).


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 crystal structure of (I). Dashed lines indicate the intra­molecular N—H⋯N and C—H⋯O hydrogen bonds.
© Copyright Policy - open-access
Related In: Results  -  Collection

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

fig3: The crystal structure of (I). Dashed lines indicate the intra­molecular N—H⋯N and C—H⋯O hydrogen bonds.
Mentions: In (I), the crystal packing consists of stacks along the a axis (Fig. 3 ▸), in which the mol­ecules are linked to each other by π(S1)⋯π(C7) [1 + x, y, z] inter­actions at distances of 3.463 (3) Å (Fig. 4 ▸). No other directional inter­molecular inter­actions are observed in (I).

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.