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Figure 1
ORTEP drawing of A form (II) with 50% probability ellipsoids, including atom-numbering scheme. The dotted lines represent intramolecular C—H⋯π and C—H⋯Cl interactions. The same scheme has been followed for all the molecules in different polymorphic forms. (b) ORTEP drawing of B·H2O with 50% probability ellipsoids. The dotted lines represent intramolecular N—H⋯Cl, C—H⋯O and C—H⋯π interactions. (c) Overlay diagram of all at the crystal geometry. For A form (I): C atoms gray; for A form (II): C atoms purple; for B: C atoms black; for B·H2O: C atoms orange. (d) Overlay diagram of all at optimized geometry. For A form (I): C atoms brown; for A form (II): C atoms green; for B: C atoms magenta; for B·H2O: C atoms cyan.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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